SCHEMBL9050216

SCHEMBL9050216

c1cc(CN2CCNCC2)co1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.56
CXCR4 P61073 12/20 0.51
MEN1 O00255 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
ADRA2C P18825 1/20 0.51
CCR2 P41597 1/20 0.51
CXCL12 P48061 1/20 0.51
BLM P54132 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49

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
Hydrochloric Acid SCHEMBL9284310 0.98 SIGMAR1 (0.55) SIGMAR1CXCR4MEN1CHRM2CHRM1
Tert-Butyl Formate SCHEMBL28289031 0.83 SIGMAR1 (0.41) SIGMAR1CXCR4MEN1CHRM2CHRM1
SCHEMBL27523608 0.81 HRH3 (0.59) TDP1HRH3KDM4EALDH1A1POLB
SCHEMBL28246545 0.79 HRH3 (0.58) CXCR4MEN1KMT2AHRH3KDM4E
SCHEMBL4828212 0.79 KDM4E (0.50) SIGMAR1MEN1CHRM2CHRM1KMT2A
SCHEMBL16026416 0.78 ALDH1A1 (0.56) SIGMAR1MEN1KMT2ATDP1KDM4E
SCHEMBL12359436 0.78 MC4R (0.56) TDP1KDM4EALDH1A1POLBHPGD
SCHEMBL12551219 0.76 KMT2A (0.57) MEN1CHRM2CHRM1KMT2AKDM4E
Hydrochloric Acid SCHEMBL5573232 0.76 CXCR4 (0.78) SIGMAR1CXCR4MEN1CHRM2CHRM1
SCHEMBL1259387 0.76 CXCR4 (0.81) SIGMAR1CXCR4MEN1CHRM2CHRM1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563092-B 2-phenylimidazo [4,5-B ] pyridin-7-amine derivatives useful as inhibitors of the activity of the mammalian tyrosine kinase ROR1 坎塞拉有限公司 2021-09-14 CN disclosed
CN-109563092-A It can be used as the 2- phenylimidazole of the active inhibitor of mammal tyrosine kinase ROR1 simultaneously [4,5-B] pyridine -7- amine derivative 坎塞拉有限公司 2019-04-02 CN disclosed
US-7504398-B2 potent and selective antagonists of adenosine receptors; Parkinson's disease, asthma, allergies, inflammation, atherosclerosis, hypertension, gastrointestinal disorders, cell proliferation and autoimmune diseases; sulfonamidation LABORATORIOS ALMIRALL S.A. (ES) 2009-03-17 US disclosed
US-7504398-B2 potent and selective antagonists of adenosine receptors; Parkinson's disease, asthma, allergies, inflammation, atherosclerosis, hypertension, gastrointestinal disorders, cell proliferation and autoimmune diseases; sulfonamidation LABORATORIOS ALMIRALL S.A. (ES) 2009-03-17 US disclosed
EP-0703908-A1 ANALGESIC DIBENZOXAZEPINES AND DIBENZOTHIAZEPINES G.D. SEARLE & CO. (US) 1996-04-03 EP disclosed
WO-1994029286-A1 ANALGESIC DIBENZOXAZEPINES AND DIBENZOTHIAZEPINES G.D. SEARLE & CO. (US) 1994-12-22 WO disclosed
EP-0224178-B1 1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-4-OXO-7(1-PIPERAZINYL)-3-QUINOLINE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND ANTIBACTERIAL COMPOSITIONS CONTAINING THEM BAYER AG (DE) 1990-08-01 EP disclosed
US-4806539-A 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acids and antibacterial agents containing them BAYER AKTIENGESELLSCHAFT (DE) 1989-02-21 US disclosed
EP-0224178-A1 1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7(1-piperazinyl)-3-quinoline-carboxylic acids, process for their preparation and antibacterial compositions containing them BAYER AG (DE) 1987-06-03 EP disclosed