SCHEMBL7499596

SCHEMBL7499596

COc1cccc(OC)c1C(=O)c1[nH]c2ncccc2c1C1=CCN2CCCC2C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 19/20 0.39
CDK9 P50750 19/20 0.39
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CDK2 P24941 1/20 0.37
CDK8 P49336 1/20 0.37
CDK7 P50613 1/20 0.37
CDK6 Q00534 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
SCHEMBL7499179 0.87 ALK (0.35) CCNT1CDK9
SCHEMBL2064496 0.75 ELANE (0.38) CDK1
SCHEMBL2063435 0.69 BTK (0.38) CCNT1CDK9
SCHEMBL2063653 0.68 TMEM97 (0.47) CCNT1CDK9CDK1CDK2CDK8
SCHEMBL7503378 0.64 CCNT1 (0.43) CCNT1CDK9
SCHEMBL2063892 0.63 ELANE (0.40) CDK1
SCHEMBL30908939 0.61 DAO (0.39)
SCHEMBL2064707 0.61 ELANE (0.43) CDK1
SCHEMBL1445398 0.60 MCHR1 (0.41)
SCHEMBL2064461 0.60 CDK7 (0.39) CDK9CDK7

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-1204662-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS Allelix Corp. (CA) 2002-05-15 EP disclosed
WO-2001012629-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS ALLELIX CORP. (US) 2001-02-22 WO disclosed