SCHEMBL31489271

SCHEMBL31489271

CC[C@H](c1ccc(F)cc1)n1cc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.43
LIPG Q9Y5X9 7/20 0.43
FFAR1 O14842 1/20 0.42
CYP17A1 P05093 1/20 0.36
ESR2 Q92731 1/20 0.34
CXCR2 P25025 1/20 0.32
CYP19A1 P11511 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
ITK Q08881 2/20 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
SCHEMBL31489712 1.00 LPL (0.43) LPLLIPGFFAR1CYP17A1ESR2
SCHEMBL22585809 1.00 LPL (0.43) LPLLIPGFFAR1CYP17A1ESR2
SCHEMBL31489480 0.89 LPL (0.43) LPLLIPGFFAR1ESR2CXCR2
SCHEMBL31489464 0.88 LPL (0.42) LPLLIPGFFAR1ESR2CXCR2
SCHEMBL17815965 0.88 FFAR1 (0.44) LPLLIPGFFAR1ESR2JAK2
SCHEMBL16101598 0.88 FFAR1 (0.44) LPLLIPGFFAR1ESR2JAK2
SCHEMBL22585591 0.88 FFAR1 (0.44) LPLLIPGFFAR1ESR2JAK2
SCHEMBL22585511 0.87 FFAR1 (0.43) LPLLIPGFFAR1ESR2
SCHEMBL31489793 0.87 FFAR1 (0.43) LPLLIPGFFAR1ESR2CXCR2
SCHEMBL22559001 0.85 FFAR1 (0.40) LPLLIPGFFAR1CXCR2IDO1

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