SCHEMBL30462076

SCHEMBL30462076

Cn1cc(C(F)(F)F)nc1-c1ccc(CNc2nc(Cl)ncc2CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 1/20 0.41
▸ AGTR2 P50052 1/20 0.41
▸ USP1 O94782 18/20 0.41
▸ PDE2A O00408 1/20 0.40

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
SCHEMBL27088282 1.00 AGTR1 (0.41) AGTR1AGTR2USP1PDE2A
SCHEMBL25430434 0.88 PDE2A (0.41) USP1PDE2A
SCHEMBL25976056 0.88 USP1 (0.43) USP1PDE2A
SCHEMBL26627859 0.88 PDE2A (0.43) USP1PDE2A
SCHEMBL30461997 0.88 PDE2A (0.43) USP1PDE2A
SCHEMBL31368667 0.87 USP1 (0.41) USP1
SCHEMBL29043914 0.87 USP1 (0.41) USP1
SCHEMBL30462059 0.87 PDE2A (0.42) USP1PDE2A
SCHEMBL29043903 0.87 PDE2A (0.42) USP1PDE2A
SCHEMBL27088279 0.86 USP1 (0.40) USP1PDE2A

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
CN-118660872-A Pyrimidine compound, preparation method and medical application thereof 江苏亚虹医药科技股份有限公司 2024-09-17 — — CN disclosed
CN-116496252-A Pyrimidine compound, preparation method and medical application thereof 江苏亚虹医药科技股份有限公司 2023-07-28 — — CN disclosed
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