SCHEMBL25599743

SCHEMBL25599743

C=CC(=O)Nc1cc2nc(N3CCCC(F)C3)n(C)c2cc1C(=O)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.40
CCNK O75909 2/20 0.36
CDK12 Q9NYV4 2/20 0.36
EGFR P00533 3/20 0.35
DPP4 P27487 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 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
SCHEMBL25599771 0.93 CCNA2 (0.37) BTKCCNKCDK12EGFR
SCHEMBL25599780 0.88 IRAK4 (0.41) CCNKCDK12EGFRADORA2AADORA1
SCHEMBL25599216 0.84 CCNA2 (0.39) BTKCCNKCDK12KDM4E
SCHEMBL25682533 0.84 CCNA2 (0.39) BTKCCNKCDK12KDM4E
SCHEMBL25599817 0.84 UCHL3 (0.37) CCNKCDK12EGFR
SCHEMBL25599631 0.84 CDK7 (0.38) BTKCCNKCDK12EGFR
SCHEMBL25681855 0.83 BRPF1 (0.39) EGFR
SCHEMBL25599672 0.83 CCNA2 (0.38) CCNKCDK12EGFR
SCHEMBL25599717 0.83 BRPF1 (0.39) EGFR
SCHEMBL25599189 0.83 UCHL3 (0.36) CCNKCDK12EGFR

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