SCHEMBL19930866

SCHEMBL19930866

CCCCc1cnc(N)nc1-c1cn(C)c(=O)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.47
CDK5R1 Q15078 2/20 0.47
BRD4 O60885 11/20 0.44

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
SCHEMBL19930778 0.93 CDK5 (0.49) CDK5CDK5R1BRD4
SCHEMBL16650977 0.84 BRD4 (0.41) BRD4
SCHEMBL29848742 0.84 BRD4 (0.41) BRD4
SCHEMBL25043383 0.81 MEN1 (0.40) BRD4
SCHEMBL16651985 0.81 BRD4 (0.47) BRD4
SCHEMBL29848848 0.81 BRD4 (0.47) BRD4
SCHEMBL29848819 0.76 BRD4 (0.43) BRD4
SCHEMBL16650386 0.76 BRD4 (0.43) BRD4
SCHEMBL29848814 0.76 BRD4 (0.43) BRD4
SCHEMBL29848858 0.74 BRD4 (0.49) BRD4

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-3640241-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-04-22 EP disclosed
EP-3290407-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc (US) 2018-03-07 EP disclosed