SCHEMBL25599260

SCHEMBL25599260

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UCHL3 P15374 1/20 0.35
CSF1R P07333 1/20 0.33
CDK7 P50613 11/20 0.33
CCNH P51946 11/20 0.33
MNAT1 P51948 11/20 0.33
CCNA2 P20248 8/20 0.33
CDK2 P24941 8/20 0.33
CDK12 Q9NYV4 4/20 0.33
CCNK O75909 3/20 0.33
MAPK3 P27361 1/20 0.33
CTSC P53634 2/20 0.33
FGFR4 P22455 1/20 0.33
CDK13 Q14004 1/20 0.32
EGFR P00533 1/20 0.32
KDR P35968 1/20 0.32
MCHR1 Q99705 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
SCHEMBL25681096 0.90 ALDH1A1 (0.36) UCHL3CDK7CCNHMNAT1CCNA2
SCHEMBL25682533 0.88 CCNA2 (0.39) UCHL3CSF1RCDK7CCNHMNAT1
SCHEMBL25599631 0.88 CDK7 (0.38) UCHL3CSF1RCDK7CCNHMNAT1
SCHEMBL25599817 0.88 UCHL3 (0.37) UCHL3CSF1RCDK7CCNHMNAT1
SCHEMBL25599216 0.88 CCNA2 (0.39) UCHL3CSF1RCDK7CCNHMNAT1
SCHEMBL25600063 0.87 UCHL3 (0.39) UCHL3CTSCEGFRMCHR1
SCHEMBL25599189 0.87 UCHL3 (0.36) UCHL3CSF1RCDK7CCNHMNAT1
SCHEMBL25681855 0.87 BRPF1 (0.39) UCHL3CSF1RCTSCEGFR
SCHEMBL25599717 0.87 BRPF1 (0.39) UCHL3CSF1RCTSCEGFR
SCHEMBL25599672 0.87 CCNA2 (0.38) UCHL3CSF1RCDK7CCNHMNAT1

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