SCHEMBL30640199

SCHEMBL30640199

COC(=O)c1cnc(C)cc1-c1ccnc(C)c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 16/20 0.59
▸ CYP46A1 Q9Y6A2 1/20 0.47
▸ PIK3CB P42338 1/20 0.45
▸ CCNC P24863 1/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ DYRK1A Q13627 1/20 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
SCHEMBL24500766 1.00 POLQ (0.59) POLQCYP46A1PIK3CBCCNCCDK8
SCHEMBL30017462 0.89 POLQ (0.62) POLQCYP46A1
SCHEMBL29261587 0.89 POLQ (0.52) POLQCYP46A1
SCHEMBL24501111 0.89 POLQ (0.62) POLQCYP46A1
SCHEMBL27958629 0.84 POLQ (0.58) POLQ
SCHEMBL24501138 0.83 POLQ (0.53) POLQPIK3CBCCNCCDK8DYRK1A
SCHEMBL30640140 0.83 POLQ (0.53) POLQPIK3CBCCNCCDK8DYRK1A
SCHEMBL29695035 0.82 PIK3CB (0.61) POLQPIK3CBCCNCCDK8DYRK1A
SCHEMBL23542699 0.80 POLQ (0.48) POLQCYP46A1CCNCCDK8
SCHEMBL24770892 0.78 POLQ (0.56) POLQ

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-117083271-A Substituted thiadiazolyl derivatives as DNA polymerase theta inhibitors 伊迪亚生物科学有限公司 2023-11-17 — — CN disclosed
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