SCHEMBL31489446

SCHEMBL31489446

CCC(c1ccc(F)cc1)n1cc(-c2cncc(-c3ccn4nc(-n5c(C)ccc5C)nc4c3C)n2)cn1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL31489146 0.92 JAK2 (0.33) CYP17A1JAK2JAK1TYK2JAK3
SCHEMBL31489655 0.91 PIK3CD (0.32) CYP17A1
SCHEMBL31489715 0.88 CYP17A1 (0.32) CYP17A1JAK2JAK1TYK2JAK3
SCHEMBL31489714 0.88 CYP17A1 (0.32) CYP17A1JAK2JAK1TYK2JAK3
SCHEMBL31489785 0.87 CYP17A1 (0.34) CYP17A1JAK2JAK1TYK2JAK3
SCHEMBL31489296 0.87
SCHEMBL31489133 0.86 JAK2 (0.33) CYP17A1JAK2JAK1TYK2JAK3
SCHEMBL31489423 0.85
SCHEMBL31489154 0.83 KDM4E (0.31)
SCHEMBL31489684 0.83 PIK3CD (0.34) JAK2JAK1TYK2JAK3

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