SCHEMBL31552850

SCHEMBL31552850

Nc1c(C2=NCCN2)ccc(Br)c1F

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 13/20 0.49
▸ PDCD1LG2 Q9BQ51 4/20 0.43
▸ CD274 Q9NZQ7 4/20 0.43

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
SCHEMBL31552841 0.81 NISCH (0.48) NISCHPDCD1LG2CD274
SCHEMBL12765025 0.78 NISCH (0.53) NISCHPDCD1LG2CD274
SCHEMBL31039349 0.74 NISCH (0.67) NISCHPDCD1LG2CD274
SCHEMBL31552847 0.71 NISCH (0.46) NISCHPDCD1LG2CD274
SCHEMBL22743021 0.71 NISCH (0.46) NISCHPDCD1LG2CD274
SCHEMBL4818139 0.69 NISCH (0.62) NISCHPDCD1LG2CD274
Hydrochloric Acid SCHEMBL4913189 0.68 NISCH (0.61) NISCHPDCD1LG2CD274
SCHEMBL18824619 0.68 LMNA (0.53) NISCH
SCHEMBL4383292 0.68 NISCH (0.70) NISCHPDCD1LG2CD274
SCHEMBL18824537 0.67 NISCH (0.74) NISCHPDCD1LG2CD274

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-119948029-A Fused tricyclic PARP1 inhibitor, preparation method and application thereof 上海海和药物研究开发股份有限公司 2025-05-06 — — CN disclosed
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