SCHEMBL19930778

SCHEMBL19930778

CCCc1cnc(N)nc1-c1cn(C)c(=O)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.49
CDK5R1 Q15078 2/20 0.49
BRD4 O60885 10/20 0.46
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL19930866 0.93 CDK5 (0.47) CDK5CDK5R1BRD4
SCHEMBL16650386 0.83 BRD4 (0.43) BRD4MEN1USP2ALDH1A1LMNA
SCHEMBL29848814 0.83 BRD4 (0.43) BRD4MEN1USP2ALDH1A1LMNA
SCHEMBL29848819 0.83 BRD4 (0.43) BRD4MEN1USP2ALDH1A1LMNA
SCHEMBL16650709 0.80 BRD4 (0.49) BRD4MEN1USP2ALDH1A1LMNA
SCHEMBL29848858 0.80 BRD4 (0.49) BRD4MEN1USP2ALDH1A1LMNA
SCHEMBL19930783 0.80 MEN1 (0.43) BRD4MEN1USP2ALDH1A1LMNA
SCHEMBL29848742 0.77 BRD4 (0.41) BRD4
SCHEMBL16650977 0.77 BRD4 (0.41) BRD4
SCHEMBL19930665 0.74 BRD4 (0.46) CDK5CDK5R1BRD4

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