SCHEMBL30508802

SCHEMBL30508802

Cc1cnc(F)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
CXCR2 P25025 1/20 0.31
MAPK1 P28482 1/20 0.31
LIPE Q05469 1/20 0.31
JAK2 O60674 1/20 0.30
BTK Q06187 1/20 0.30
USP30 Q70CQ3 1/20 0.30
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
SCHEMBL1192473 1.00 LPL (0.35) LPLLIPGCXCR2MAPK1LIPE
SCHEMBL22766300 0.84 LPL (0.36) LPLLIPGCXCR2JAK2BTK
SCHEMBL29781537 0.82 UHRF1 (0.35) LPLLIPGMAPK1USP30
SCHEMBL12456123 0.82 UHRF1 (0.35) LPLLIPGMAPK1USP30
SCHEMBL16043086 0.81 EGFR (0.36) LPLLIPGCXCR2LIPEJAK2
SCHEMBL15342466 0.79 EGFR (0.31) MAPK1JAK2BTKUSP30EGFR
SCHEMBL23181503 0.79 AAK1 (0.34) USP30
SCHEMBL30508705 0.79 AAK1 (0.34) USP30
SCHEMBL19743736 0.79 LIPE (0.35) LIPEUSP30
SCHEMBL23912778 0.78 NNMT (0.38) MAPK1LIPE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4466258-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-11-27 EP disclosed
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 WO disclosed