SCHEMBL26493498

SCHEMBL26493498

C(=C1C2CCCC1C2)c1ccc2cnccc2c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ CYP3A4 P08684 11/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ PRKCZ Q05513 1/20 0.37
▸ KDM2B Q8NHM5 1/20 0.37
▸ IKBKB O14920 1/20 0.35
▸ PRMT3 O60678 2/20 0.34
▸ SMYD3 Q9H7B4 1/20 0.34

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
SCHEMBL26493523 0.78 EGFR (0.42) —
SCHEMBL1519758 0.71 CYP3A4 (0.49) CYP3A4
SCHEMBL1519743 0.71 CYP3A4 (0.53) CYP3A4
SCHEMBL29935862 0.71 CYP3A4 (0.53) CYP3A4
SCHEMBL22288360 0.70 BACE1 (0.49) CCNE1CDK2CDK5ROCK1PRKCZ
SCHEMBL27721788 0.70 CYP3A4 (0.51) CYP3A4
SCHEMBL22288202 0.69 CYP11B2 (0.51) CCNE1CDK2CDK5ROCK1PRKCZ
SCHEMBL2300247 0.66 PRKCZ (0.45) CCNE1CDK2CDK5ROCK1PRKCZ
SCHEMBL23987063 0.66 CLK1 (0.49) CCNE1CDK2CDK5
SCHEMBL26463977 0.66 — —

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
WO-2023072969-A1 IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-05-04 — — WO disclosed
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