SCHEMBL403956

SCHEMBL403956

N#Cc1cccc2[nH]ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.57
IMPDH1 P20839 2/20 0.57
AHR P35869 2/20 0.50
MCL1 Q07820 1/20 0.44
PIK3CD O00329 1/20 0.42
TRPA1 O75762 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
ADK P55263 1/20 0.41
MAP2K1 Q02750 1/20 0.41
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
RHEB Q15382 3/20 0.40
MAPK1 P28482 1/20 0.40
ADRB1 P08588 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30309353 1.00 IMPDH2 (0.57) IMPDH2IMPDH1AHRMCL1PIK3CD
SCHEMBL5756003 0.85 IMPDH2 (0.46) IMPDH2IMPDH1AHRMCL1CA1
SCHEMBL7096071 0.83 IMPDH2 (0.49) IMPDH2IMPDH1AHRPIK3CDTRPA1
SCHEMBL8186005 0.81 GRIN2D (0.43) IMPDH2IMPDH1MCL1
SCHEMBL3304532 0.79 PIK3CD (0.44) IMPDH2IMPDH1AHRPIK3CDMAPK1
SCHEMBL18000260 0.79 AHR (0.50) IMPDH2IMPDH1AHRPIK3CDTRPA1
SCHEMBL97760 0.79 AHR (0.50) IMPDH2IMPDH1AHRPIK3CDTRPA1
SCHEMBL31189980 0.79 AHR (0.50) IMPDH2IMPDH1AHRPIK3CDTRPA1
SCHEMBL7411511 0.78 IMPDH2 (0.38) IMPDH2IMPDH1AHRMCL1CA1
SCHEMBL16286445 0.76 RHEB (0.51) IMPDH2IMPDH1AHRTRPA1PRKCQ

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 463 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120028308-A Small molecule Raman probe, bar code probe, encoding method and application thereof 北京大学 2025-05-23 CN claimed
CN-119630676-A Pyrido [4,3-D ] pyrimidine derivatives as KRAS inhibitors 百时美施贵宝公司 2025-03-14 CN claimed
CN-110139862-B Substituted bicyclic heterocyclic derivatives useful as ROMK channel inhibitors 百时美施贵宝公司 2024-01-16 CN claimed
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 EP claimed
CN-114394963-B Isoxazoline compound, preparation method and application 西北农林科技大学 2023-05-23 CN claimed
CN-115852397-A Preparation method of halogenated indole compound 西南林业大学 2023-03-28 CN claimed
CN-111004283-A Preparation method of 3-phosphoryl indole compound 南京理工大学 2020-04-14 CN claimed
CN-109311874-A The bicyclic heterocyclic compounds being substituted 百时美施贵宝公司 2019-02-05 CN claimed
US-9668479-B2 Modulating germination of Paenibacillus larvae THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2017-06-06 US claimed
CN-104768946-B Fused pyrimidines as inhibitors of the p97 complex 克里弗生物科学公司 2017-05-03 CN claimed
WO-2014015291-A1 FUSED PYRIMIDINES AS INHIBITORS OF p97 COMPLEX ZHOU HAN-JIE (US) 2014-01-23 WO claimed
EP-2658844-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2013-11-06 EP claimed
EP-2582666-A2 ARYL SUBSTITUTED INDOLES AND THEIR USE AS BLOCKERS OF SODIUM CHANNELS Purdue Pharma L.P. (US) 2013-04-24 EP claimed
WO-2012089633-A9 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2012-08-23 WO claimed
WO-2012089633-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2012-07-05 WO claimed
WO-2011158108-A2 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA L.P. (US) 2011-12-22 WO claimed
EP-2300460-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2011-03-30 EP claimed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO claimed
EP-1732887-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth (US) 2006-12-20 EP claimed
WO-2005097744-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-10-20 WO claimed