SCHEMBL25599780

SCHEMBL25599780

C=CC(=O)Nc1cc2nc(N3CCCC(F)C3)n(C)c2cc1N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.41
EGFR P00533 6/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
KMT2A Q03164 1/20 0.38
IDH1 O75874 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSB P07858 1/20 0.37
CTSC P53634 1/20 0.37
CSF1R P07333 1/20 0.37
BRPF1 P55201 1/20 0.36
FGFR4 P22455 1/20 0.36
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36

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
SCHEMBL25681855 0.94 BRPF1 (0.39) EGFRMAPTCTSBCTSCCSF1R
SCHEMBL25599717 0.94 BRPF1 (0.39) EGFRMAPTCTSBCTSCCSF1R
SCHEMBL25599743 0.88 BTK (0.40) EGFRADORA2AADORA1CCNKCDK12
SCHEMBL25599216 0.85 CCNA2 (0.39) MAPTCTSBCTSCCSF1RCCNK
SCHEMBL25599631 0.85 CDK7 (0.38) EGFRCTSCCSF1RCCNKCDK12
SCHEMBL25682533 0.85 CCNA2 (0.39) MAPTCTSBCTSCCSF1RCCNK
SCHEMBL25599817 0.85 UCHL3 (0.37) EGFRCTSCCSF1RFGFR4CCNK
SCHEMBL25599189 0.84 UCHL3 (0.36) EGFRCTSCCSF1RFGFR4CCNK
SCHEMBL25599672 0.84 CCNA2 (0.38) EGFRCSF1RCCNKCDK12
SCHEMBL25599623 0.84 FGFR4 (0.36) EGFRCTSCCSF1RFGFR4CCNK

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