SCHEMBL31378591

SCHEMBL31378591

Cc1ncc(F)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 1/20 0.39
▸ LIPG Q9Y5X9 1/20 0.39
▸ CXCR2 P25025 3/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ BTK Q06187 2/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ EGFR P00533 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
SCHEMBL17752336 1.00 LPL (0.39) LPLLIPGCXCR2JAK2BTK
SCHEMBL15393439 0.86 LPL (0.41) LPLLIPGCXCR2JAK2BTK
SCHEMBL14800589 0.84 CCR1 (0.32) LPLLIPG
SCHEMBL30508645 0.81 LPL (0.38) LPLLIPGCXCR2JAK2BTK
SCHEMBL15392968 0.81 LPL (0.38) LPLLIPGCXCR2JAK2BTK
SCHEMBL21911080 0.81 LPL (0.38) LPLLIPGCXCR2JAK2BTK
SCHEMBL22657170 0.79 FFAR1 (0.32) —
SCHEMBL30236983 0.79 PDGFRB (0.31) —
SCHEMBL16094541 0.79 PDGFRB (0.31) —
SCHEMBL15923768 0.79 EGFR (0.33) JAK2BTKEGFR

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-2025038395-A1 BENZOPYRIDINONES AND BENZOPYRIMIDINONES AS PI3K INHIBITORS ONKURE, INC. (US) 2025-02-20 — — WO disclosed
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