SCHEMBL104221

SCHEMBL104221

[c]1ccc2c(c1)NCC2

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL104033 0.88 MAPT (0.39)
SCHEMBL104616 0.83
SCHEMBL3352960 0.81 CRBN (0.39)
SCHEMBL1557168 0.78 PNMT (0.32)
SCHEMBL16145413 0.77
SCHEMBL3813285 0.75 MEN1 (0.34)
SCHEMBL7469992 0.74 DRD2 (0.41)
SCHEMBL909853 0.72 PARP10 (0.56)
SCHEMBL3352289 0.72 MEN1 (0.46)
SCHEMBL18584725 0.71 HTR2C (0.52)

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 1636 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11952376-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2024-04-09 US claimed
US-20210032242-A1 AROMATIC HETEROCYCLIC SUBSTITUTED OLEFIN COMPOUND, PREPARATION METHOD FOR SAME, PHARMACEUTICAL COMPOSITION OF SAME, AND APPLICATIONS THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2021-02-04 US claimed
EP-3321262-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2021-01-13 EP claimed
US-10842803-B2 Imidazopyridines Syk inhibitors Kronos Bio, Inc. (US) 2020-11-24 US claimed
CN-106349217-B Serine/threonine kinase inhibitors 阵列生物制药公司 2020-08-28 CN claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-RE47451-E1 Thieno[3,2-D]pyrimidine derivatives having inhibitory activity for protein kinases HANMI PHARM. CO. LTD. (KR) 2019-06-25 US claimed
EP-2373318-B1 IMIDAZOPYRAZINE SYK INHIBITORS GILEAD CONNECTICUT INC (US) 2019-06-05 EP claimed
US-20190117679-A1 IMIDAZOPYRIDINES SYK INHIBITORS Kronos Bio, Inc. 2019-04-25 US claimed
US-10179790-B2 MTH1 inhibitors for treatment of cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2019-01-15 US claimed
EP-1339712-A1 3-SUBSTITUTED QUINUCLIDINES AND THEIR USE AS NICOTINIC AGONISTS NEUROSEARCH A/S (DK) 2003-09-03 EP claimed
US-20030125346-A1 Amino-substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2003-07-03 US claimed
EP-1302463-A1 MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-16 EP claimed
EP-1296950-A2 AMINOPIPERIDINES FOR USE AS GLYT-1 INHIBITORS NPS Allelix Corp. (CA) 2003-04-02 EP claimed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO claimed
WO-2002070522-A1 NOVEL 2,5-DIAZABICYCLO[2.2.1]HEPTANE DERIVATIVES NEUROSEARCH A/S (DK) 2002-09-12 WO claimed
WO-2002044176-A1 3-SUBSTITUTED QUINUCLIDINES AND THEIR USE AS NICOTINIC AGONISTS NEUROSEARCH A/S (DK) 2002-06-06 WO claimed
WO-2001081308-A2 AMINOPIPERIDINES FOR USE AS GLYT-1 INHIBITORS NPS ALLELIX CORP. (CA) 2001-11-01 WO claimed
EP-1140881-A1 ANTITHROMBOTIC AMIDES ELI LILLY AND COMPANY (US) 2001-10-10 EP claimed
WO-2000039111-A1 ANTITHROMBOTIC AMIDES ELI LILLY AND COMPANY (US) 2000-07-06 WO claimed