SCHEMBL31613098

SCHEMBL31613098

O=C1NC(=O)c2c1cccc2-c1cccc2c1[nH]c1ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 7/20 0.57
▸ CCND1 P24385 7/20 0.57
▸ CCNE2 O96020 5/20 0.57
▸ CCNE1 P24864 5/20 0.57
▸ CDK2 P24941 5/20 0.57
▸ CAMK2B Q13554 4/20 0.57
▸ CAMK2G Q13555 4/20 0.57
▸ CAMK2D Q13557 4/20 0.57
▸ CAMK2A Q9UQM7 4/20 0.57
▸ CCNB2 O95067 3/20 0.57
▸ CDK1 P06493 3/20 0.57
▸ CCNB1 P14635 3/20 0.57
▸ CCNB3 Q8WWL7 3/20 0.57
▸ PRKCG P05129 3/20 0.57
▸ PRKCB P05771 3/20 0.57
▸ PRKCA P17252 3/20 0.57
▸ CDK5 Q00535 2/20 0.57
▸ CDK5R1 Q15078 2/20 0.57
▸ PRKACA P17612 2/20 0.57
▸ PRKACG P22612 2/20 0.57

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
SCHEMBL28823926 1.00 CDK4 (0.57) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL31613100 0.87 PARP1 (0.53) CDK4CCND1CCNE2CCNE1CDK2
Biphenyl SCHEMBL20954051 0.85 CDK4 (0.51) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL38651273 0.81 KIF11 (0.55) PARP14
SCHEMBL208113 0.81 KIF11 (0.63) PARP14
SCHEMBL29733506 0.81 KIF11 (0.63) PARP14
Biphenyl SCHEMBL20954057 0.81 CDK4 (0.56) CDK4CCND1CCNE2CCNE1CDK2
Biphenyl SCHEMBL20954044 0.80 CDK4 (0.49) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL29268767 0.80 KIF11 (0.53) PARP14
SCHEMBL51674 0.79 KIF11 (0.61) PARP14

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-120129411-A QWLED with three-dimensional quantum well heterojunction composite luminescent layer and preparation method thereof 福州大学 2025-06-10 — — CN claimed
CN-120129411-A QWLED with three-dimensional quantum well heterojunction composite luminescent layer and preparation method thereof 福州大学 2025-06-10 — — CN disclosed
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