SCHEMBL31489290

SCHEMBL31489290

Cc1ccc(C)n1-c1nc2c(F)cc(B3OC(C)(C)C(C)(C)O3)cn2n1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.34
LIPG Q9Y5X9 2/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
ROCK1 Q13464 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
EGFR P00533 1/20 0.30
JAK2 O60674 1/20 0.30
BTK Q06187 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
SCHEMBL25252040 0.82 LPL (0.36) LPLLIPGIDO1TDO2ROCK1
SCHEMBL31489425 0.81 JAK2 (0.31) JAK2BTK
SCHEMBL31489613 0.76 JAK2 (0.34) IDO1TDO2JAK2BTK
SCHEMBL31489676 0.76 JAK2 (0.34) IDO1TDO2JAK2BTK
SCHEMBL31489677 0.76 JAK2 (0.34) IDO1TDO2JAK2BTK
SCHEMBL31489436 0.76 JAK2 (0.33) LPLLIPGJAK2BTK
SCHEMBL31489454 0.75 LPL (0.35) LPLLIPGIDO1TDO2ROCK1
SCHEMBL31489632 0.74 IRAK4 (0.35) LPLLIPGIDO1TDO2IRAK4
SCHEMBL31489321 0.74 KDM4E (0.40)
SCHEMBL15175675 0.73 LPL (0.36) LPLLIPGIDO1TDO2ROCK1

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