SCHEMBL31489358

SCHEMBL31489358

CC(c1ccc(F)cc1)n1cc(I)c(F)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.39
MET P08581 3/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
KCNK3 O14649 4/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
CYP19A1 P11511 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL31489601 1.00 CYP17A1 (0.39) CYP17A1METALDH1A1GAAKDM4E
SCHEMBL31489728 0.85 CYP17A1 (0.38) CYP17A1METALDH1A1GAAKDM4E
SCHEMBL31489270 0.85 CYP17A1 (0.38) CYP17A1METALDH1A1GAAKDM4E
SCHEMBL31489429 0.84 CYP17A1 (0.37) CYP17A1METALDH1A1GAAKDM4E
SCHEMBL31489557 0.84 CYP17A1 (0.37) CYP17A1METALDH1A1GAAKDM4E
SCHEMBL31489301 0.78 CYP26A1 (0.30)
SCHEMBL31489224 0.73 CREBBP (0.39) CYP17A1METGPR55
SCHEMBL31489591 0.73 CREBBP (0.39) CYP17A1METGPR55
SCHEMBL31489718 0.70 CYP17A1 (0.45) CYP17A1METALDH1A1GAAKDM4E
SCHEMBL24783582 0.68 CYP17A1 (0.43) CYP17A1METALDH1A1GAAKDM4E

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-2025072395-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-03 WO disclosed