SCHEMBL25599189

SCHEMBL25599189

C=CC(=O)Nc1cc2nc(N3CCCC(F)C3)n(C)c2cc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UCHL3 P15374 1/20 0.36
MAP3K7 O43318 1/20 0.35
MAPK1 P28482 1/20 0.35
MAP2K1 Q02750 1/20 0.35
CSF1R P07333 1/20 0.34
CCNA2 P20248 9/20 0.34
CDK2 P24941 9/20 0.34
CDK7 P50613 9/20 0.34
CCNH P51946 9/20 0.34
MNAT1 P51948 9/20 0.34
CCNK O75909 3/20 0.34
CDK12 Q9NYV4 3/20 0.34
FGFR4 P22455 2/20 0.34
MAPKAPK2 P49137 1/20 0.34
CTSC P53634 2/20 0.33
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33
MCHR1 Q99705 1/20 0.33
MAPK3 P27361 1/20 0.32

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
SCHEMBL25599817 0.89 UCHL3 (0.37) UCHL3CSF1RCCNA2CDK2CDK7
SCHEMBL25599631 0.89 CDK7 (0.38) UCHL3CSF1RCCNA2CDK2CDK7
SCHEMBL25682533 0.89 CCNA2 (0.39) UCHL3CSF1RCCNA2CDK2CDK7
SCHEMBL25599216 0.89 CCNA2 (0.39) UCHL3CSF1RCCNA2CDK2CDK7
SCHEMBL25599992 0.89 UCHL3 (0.39) UCHL3MAP3K7MAPK1MAP2K1FGFR4
SCHEMBL25599672 0.89 CCNA2 (0.38) UCHL3MAP3K7MAPK1MAP2K1CSF1R
SCHEMBL25599717 0.89 BRPF1 (0.39) UCHL3CSF1RCTSCEGFR
SCHEMBL25681855 0.89 BRPF1 (0.39) UCHL3CSF1RCTSCEGFR
SCHEMBL25599623 0.88 FGFR4 (0.36) UCHL3CSF1RCCNA2CDK2CDK7
SCHEMBL25599260 0.87 UCHL3 (0.35) UCHL3CSF1RCCNA2CDK2CDK7

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