SCHEMBL31489648

SCHEMBL31489648

CC1(C)OB(c2cnn(C(c3ccc(F)cc3)C(F)(F)F)c2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.43
LIPG Q9Y5X9 2/20 0.43
FFAR1 O14842 1/20 0.42
ESR2 Q92731 1/20 0.32
F2 P00734 2/20 0.31
F11 P03951 2/20 0.31
F10 P00742 1/20 0.31
CXCR2 P25025 1/20 0.31
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 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
SCHEMBL31489362 1.00 LPL (0.43) LPLLIPGFFAR1ESR2F2
SCHEMBL31489328 0.92 FFAR1 (0.44) LPLLIPGFFAR1ESR2F2
SCHEMBL31489214 0.92 FFAR1 (0.44) LPLLIPGFFAR1ESR2F2
SCHEMBL15653015 0.84 LPL (0.47) LPLLIPGFFAR1ESR2CXCR2
SCHEMBL31489511 0.84 LPL (0.47) LPLLIPGFFAR1ESR2CXCR2
SCHEMBL31489793 0.82 FFAR1 (0.43) LPLLIPGFFAR1ESR2CXCR2
SCHEMBL22558697 0.81 LPL (0.44) LPLLIPGFFAR1ESR2CXCR2
SCHEMBL22585809 0.81 LPL (0.43) LPLLIPGFFAR1ESR2CXCR2
SCHEMBL31489271 0.81 LPL (0.43) LPLLIPGFFAR1ESR2CXCR2
SCHEMBL31489712 0.81 LPL (0.43) LPLLIPGFFAR1ESR2CXCR2

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