SCHEMBL30533844

SCHEMBL30533844

C=CC(=O)Nc1ccc2c(c1)nc(N1CC[C@H](F)[C@@H](Nc3ncc(C#N)cn3)C1)n2C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNK O75909 13/20 0.49
CDK12 Q9NYV4 13/20 0.49
CCNA2 P20248 10/20 0.44
CDK2 P24941 10/20 0.44
CDK7 P50613 10/20 0.44
CCNH P51946 10/20 0.44
MNAT1 P51948 10/20 0.44
EGFR P00533 1/20 0.39
FGFR4 P22455 2/20 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
SCHEMBL25216702 1.00 CCNK (0.49) CCNKCDK12CCNA2CDK2CDK7
SCHEMBL25224265 1.00 CCNK (0.49) CCNKCDK12CCNA2CDK2CDK7
SCHEMBL30533851 1.00 CCNK (0.49) CCNKCDK12CCNA2CDK2CDK7
SCHEMBL25233481 1.00 CCNK (0.49) CCNKCDK12CCNA2CDK2CDK7
SCHEMBL25221183 0.88 CCNK (0.44) CCNKCDK12CCNA2CDK2CDK7
SCHEMBL30464490 0.88 CCNK (0.44) CCNKCDK12CCNA2CDK2CDK7
SCHEMBL25268712 0.88 CCNK (0.44) CCNKCDK12CCNA2CDK2CDK7
SCHEMBL30464385 0.88 CCNK (0.44) CCNKCDK12CCNA2CDK2CDK7
SCHEMBL25273470 0.86 CCNK (0.57) CCNKCDK12CCNA2CDK2CDK7
SCHEMBL25273469 0.86 CCNK (0.57) CCNKCDK12CCNA2CDK2CDK7

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
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 WO claimed
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 WO disclosed