SCHEMBL31489438

SCHEMBL31489438

CCC(c1ccc(F)cc1)n1cc(-c2cncc(Br)n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.40
JAK2 O60674 9/20 0.37
JAK1 P23458 9/20 0.37
TYK2 P29597 9/20 0.37
JAK3 P52333 9/20 0.37
CYP19A1 P11511 1/20 0.33
ITK Q08881 3/20 0.32
CCNT1 O60563 3/20 0.32
CDK9 P50750 3/20 0.32
CDK2 P24941 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
ROCK2 O75116 1/20 0.31

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
SCHEMBL31489819 1.00 CYP17A1 (0.40) CYP17A1JAK2JAK1TYK2JAK3
SCHEMBL31489183 0.86 JAK2 (0.39) CYP17A1JAK2JAK1TYK2JAK3
SCHEMBL31489249 0.86 JAK2 (0.39) CYP17A1JAK2JAK1TYK2JAK3
SCHEMBL31489266 0.86 CYP17A1 (0.40) CYP17A1JAK2JAK1TYK2JAK3
SCHEMBL31489470 0.84 CREBBP (0.40) CYP17A1JAK2JAK1TYK2JAK3
SCHEMBL31489380 0.84 CREBBP (0.40) CYP17A1JAK2JAK1TYK2JAK3
SCHEMBL31489590 0.74 CYP17A1 (0.38) CYP17A1JAK2JAK1TYK2JAK3
SCHEMBL31489746 0.74 CYP17A1 (0.38) CYP17A1JAK2JAK1TYK2JAK3
SCHEMBL22585811 0.72 CYP17A1 (0.43) CYP17A1JAK2JAK1TYK2JAK3
SCHEMBL31489634 0.72 CYP17A1 (0.43) CYP17A1JAK2JAK1TYK2JAK3

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