SCHEMBL7272011

SCHEMBL7272011

CSc1ccc(-c2nc3cnccc3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.51
MAPK13 O15264 2/20 0.51
MAPK12 P53778 2/20 0.51
MAPK11 Q15759 2/20 0.51
MAPK14 Q16539 2/20 0.51
PRKD3 O94806 2/20 0.51
ROCK1 Q13464 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
MAP4K4 O95819 1/20 0.51
LCK P06239 1/20 0.51
RET P07949 1/20 0.51
PRKACA P17612 1/20 0.51
RPS6KB1 P23443 1/20 0.51
MATK P42679 1/20 0.51
FRK P42685 1/20 0.51
MAPK9 P45984 1/20 0.51
GCGR P47871 1/20 0.51
CSNK1A1 P48729 1/20 0.51
CSNK1D P48730 1/20 0.51
GSK3A P49840 1/20 0.51

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 SCHEMBL7271663 0.98 ALOX5 (0.50) ALOX5MAPK13MAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL10850991 0.98 ALOX5 (0.50) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL10961718 0.89 ALDH1A1 (0.45) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL9635741 0.84 AURKA (0.47) PRKD3ROCK1CLK4ALDH1A1KDM4E
SCHEMBL9635698 0.83 ALOX5 (0.54) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL11228706 0.82 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDPKMNPC1
Hydrochloric Acid SCHEMBL10844985 0.82 ALOX5 (0.53) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL9634693 0.82 AURKA (0.45) PRKD3ROCK1CLK4ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7280780 0.81 NPC1 (0.56) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL10738128 0.81 PRKD3 (0.44) ALOX5MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4904785-A INOTROPIC AGENTS FOR CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1990-02-27 US disclosed
US-4758574-A 2-phenylimidazio (4,5-c) pyridines ELI LILLY AND COMPANY (US) 1988-07-19 US disclosed
US-4616090-A 2-arylimidazopyridines intermediates MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-07 US disclosed
EP-0072926-B1 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GmbH (DE) 1986-09-24 EP disclosed
EP-0093593-A2 Pyridine compounds ELI LILLY AND COMPANY (US) 1983-11-09 EP disclosed
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP disclosed