SCHEMBL31409697

SCHEMBL31409697

Cc1cc(Nc2ccc(C(F)(F)F)cc2)cc(-c2c[nH]c3ccnc(C(F)(F)F)c23)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.38
EPHX2 P34913 1/20 0.37
DYRK1A Q13627 2/20 0.36
DHODH Q02127 2/20 0.36
CDK2 P24941 1/20 0.35
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
GSK3B P49841 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
SCHEMBL31409705 0.70 DYRK1A (0.36) DYRK1ACDK2GSK3B
SCHEMBL1741221 0.65 MET (0.51)
SCHEMBL1741232 0.64 MET (0.47)
SCHEMBL31409711 0.63 RAPGEF4 (0.56) DHODH
SCHEMBL16876371 0.62 SYK (0.60) SYK
SCHEMBL31409700 0.62 DYRK1A (0.34) DYRK1AGSK3B
SCHEMBL1981416 0.61 HPGD (0.54) EPHX2DHODH
SCHEMBL3770143 0.61 DHODH (0.53) EPHX2DHODHCDK2
SCHEMBL15084530 0.60 CDK5 (0.41) DYRK1ACDK2GSK3B
SCHEMBL1921455 0.59 EPHX2 (0.56) EPHX2DHODH

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-2025026997-A1 SUBSTITUED BICYCLIC HETEROCYCLIC YAP-TEAD AND/OR TAZ-TEAD INHIBITORS MERCK PATENT GMBH (DE) 2025-02-06 WO disclosed