SCHEMBL25599771

SCHEMBL25599771

C=CC(=O)Nc1cc2nc(N3CCCC(F)C3)n(C)c2cc1C(=O)N1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 15/20 0.37
CDK2 P24941 15/20 0.37
CDK7 P50613 15/20 0.37
CCNH P51946 15/20 0.37
MNAT1 P51948 15/20 0.37
CCNK O75909 10/20 0.37
CDK12 Q9NYV4 10/20 0.37
BTK Q06187 1/20 0.37
UCHL3 P15374 1/20 0.35
EGFR P00533 1/20 0.34
KDR P35968 1/20 0.34
JAK3 P52333 1/20 0.34
MAPK3 P27361 1/20 0.34

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
SCHEMBL25599743 0.93 BTK (0.40) CCNKCDK12BTKEGFR
SCHEMBL25681855 0.88 BRPF1 (0.39) UCHL3EGFR
SCHEMBL25599717 0.88 BRPF1 (0.39) UCHL3EGFR
SCHEMBL25599216 0.87 CCNA2 (0.39) CCNA2CDK2CDK7CCNHMNAT1
SCHEMBL25599631 0.87 CDK7 (0.38) CCNA2CDK2CDK7CCNHMNAT1
SCHEMBL25682533 0.87 CCNA2 (0.39) CCNA2CDK2CDK7CCNHMNAT1
SCHEMBL25599817 0.87 UCHL3 (0.37) CCNA2CDK2CDK7CCNHMNAT1
SCHEMBL25599672 0.86 CCNA2 (0.38) CCNA2CDK2CDK7CCNHMNAT1
SCHEMBL25599189 0.86 UCHL3 (0.36) CCNA2CDK2CDK7CCNHMNAT1
SCHEMBL25599623 0.85 FGFR4 (0.36) CCNA2CDK2CDK7CCNHMNAT1

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 1 patent. 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 disclosed