SCHEMBL7204875

SCHEMBL7204875

Cc1cccc(C#N)c1Nc1ccc2cc[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 13/20 0.53
LRRK2 Q5S007 1/20 0.52
PRKCD Q05655 6/20 0.43
LYN P07948 1/20 0.43
ESR1 P03372 2/20 0.43
NOTUM Q6P988 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCE Q02156 1/20 0.41
CYP19A1 P11511 1/20 0.40
SYK P43405 1/20 0.38

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
SCHEMBL7204879 0.82 PRKCQ (0.47) PRKCQLRRK2PRKCDLYNESR1
SCHEMBL1145515 0.75 PRKCQ (0.53) PRKCQPRKCDLYNPRKCHPRKCE
SCHEMBL22777943 0.74 PRKCQ (0.47) PRKCQPRKCDESR1PRKCHPRKCE
SCHEMBL2984264 0.74 HPGD (0.52) PRKCQPRKCDLYNESR1ALDH1A1
SCHEMBL12129007 0.72 SYK (0.55) ESR1CYP19A1SYK
SCHEMBL2933194 0.71 PRKCQ (0.69) PRKCQPRKCDLYNPRKCHPRKCE
SCHEMBL2933197 0.71 PRKCQ (0.69) PRKCQPRKCDLYNPRKCHPRKCE
SCHEMBL29330341 0.71 PRKCQ (0.39) PRKCQPRKCDESR1NOTUMKDM4E
SCHEMBL22803563 0.71 ESR1 (0.56) ESR1NOTUMCYP19A1
SCHEMBL2936308 0.69 PRKCQ (1.00) PRKCQPRKCDLYNPRKCHPRKCE

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