SCHEMBL7204879

SCHEMBL7204879

Cc1c(C#N)cccc1Nc1ccc2cc[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 7/20 0.47
ESR1 P03372 2/20 0.43
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
CYP19A1 P11511 1/20 0.40
PRKCD Q05655 3/20 0.39
LRRK2 Q5S007 2/20 0.39
EGFR P00533 1/20 0.39
LYN P07948 1/20 0.39
SYK P43405 1/20 0.38
MAOA P21397 1/20 0.37
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
NOTUM Q6P988 1/20 0.37
RET P07949 1/20 0.37

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
SCHEMBL7204875 0.82 PRKCQ (0.53) PRKCQESR1CYP19A1PRKCDLRRK2
SCHEMBL22777943 0.74 PRKCQ (0.47) PRKCQESR1CYP19A1PRKCDEGFR
SCHEMBL2984262 0.74 PRKCQ (0.55) PRKCQESR1CYP19A1PRKCDLRRK2
SCHEMBL2984264 0.74 HPGD (0.52) PRKCQESR1PRKCDEGFRLYN
SCHEMBL31264026 0.73 KDM4E (0.51)
SCHEMBL6550968 0.73 KDM4E (0.51)
SCHEMBL12129007 0.72 SYK (0.55) ESR1CYP19A1EGFRSYKMAOA
SCHEMBL29581605 0.71 MAPK14 (0.50) EGFRSYKPIK3CDPIK3CAPIK3CB
SCHEMBL2988851 0.70 NPC1 (0.50) PRKCQESR1CYP19A1SYKNOTUM
SCHEMBL1145515 0.70 PRKCQ (0.53) PRKCQPRKCDEGFRLYNSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343791-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-17 EP disclosed
WO-2002059129-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 WO disclosed