SCHEMBL25599672

SCHEMBL25599672

C=CC(=O)Nc1cc2nc(N3CCCC(F)C3)n(C)c2cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.38
CDK2 P24941 3/20 0.38
CDK7 P50613 3/20 0.38
CCNH P51946 3/20 0.38
MNAT1 P51948 3/20 0.38
MAPK3 P27361 4/20 0.37
CCNK O75909 4/20 0.37
CDK12 Q9NYV4 4/20 0.37
UCHL3 P15374 1/20 0.36
EGFR P00533 5/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
DRD4 P21917 1/20 0.35
MAP3K7 O43318 2/20 0.35
ERBB2 P04626 1/20 0.34
ERBB4 Q15303 1/20 0.34
CSF1R P07333 1/20 0.34
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34
MAPK1 P28482 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
SCHEMBL25599631 0.89 CDK7 (0.38) CCNA2CDK2CDK7CCNHMNAT1
SCHEMBL25599817 0.89 UCHL3 (0.37) CCNA2CDK2CDK7CCNHMNAT1
SCHEMBL25682533 0.89 CCNA2 (0.39) CCNA2CDK2CDK7CCNHMNAT1
SCHEMBL25599216 0.89 CCNA2 (0.39) CCNA2CDK2CDK7CCNHMNAT1
SCHEMBL25599189 0.89 UCHL3 (0.36) CCNA2CDK2CDK7CCNHMNAT1
SCHEMBL25681855 0.89 BRPF1 (0.39) UCHL3EGFRCSF1R
SCHEMBL25599717 0.89 BRPF1 (0.39) UCHL3EGFRCSF1R
SCHEMBL25599623 0.88 FGFR4 (0.36) CCNA2CDK2CDK7CCNHMNAT1
SCHEMBL25599705 0.87 UCHL3 (0.35) CCNA2CDK2CDK7CCNHMNAT1
SCHEMBL25599260 0.87 UCHL3 (0.35) 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