SCHEMBL30853312

SCHEMBL30853312

COc1c(C2COCN2)cc(C(N)=O)c2n[nH]cc12

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL29168454 0.90 PKM (0.31) —
SCHEMBL29168359 0.89 AXL (0.31) —
SCHEMBL30853331 0.71 JAK2 (0.39) —
SCHEMBL27186283 0.70 PRKAB2 (0.35) IRAK4
SCHEMBL27186177 0.69 PDK2 (0.36) IRAK4
SCHEMBL30853309 0.68 ALDH1A1 (0.34) PARP1
SCHEMBL30853313 0.67 — —
SCHEMBL18670649 0.66 PARP1 (0.37) PARP1
SCHEMBL30853390 0.66 EGFR (0.37) PARP1
SCHEMBL30853351 0.63 PARP1 (0.43) PARP1

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
CN-117651701-A Novel substituted bicyclic aza heterocycles as SOS1 inhibitors 唯久生物技术(苏州)有限公司 2024-03-05 — — CN disclosed
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