SCHEMBL30524307

SCHEMBL30524307

CC1(C)CC[C@H](Nc2cc(Cl)nc3c(C#N)cnn23)CN1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.54
▸ CSNK2A1 P68400 9/20 0.46
▸ KCNH2 Q12809 1/20 0.42
▸ BCL6 P41182 2/20 0.41
▸ CSNK2A2 P19784 8/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ GSK3B P49841 2/20 0.40
▸ HIPK2 Q9H2X6 2/20 0.40
▸ HIPK1 Q86Z02 1/20 0.40
▸ DYRK2 Q92630 1/20 0.40
▸ HIPK3 Q9H422 1/20 0.40
▸ STK17A Q9UEE5 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
SCHEMBL15288758 0.82 CDK2 (0.64) CDK2CSNK2A1KCNH2BCL6CSNK2A2
SCHEMBL21067605 0.70 CDK2 (1.00) CDK2CSNK2A1BCL6CSNK2A2
SCHEMBL29066866 0.68 CDK2 (0.48) CDK2CSNK2A1KCNH2BCL6CSNK2A2
SCHEMBL29066870 0.68 CDK2 (0.48) CDK2CSNK2A1KCNH2BCL6CSNK2A2
SCHEMBL25593647 0.67 CDK2 (0.42) CDK2CSNK2A1CSNK2A2GSK3BHIPK2
SCHEMBL29066865 0.67 CDK2 (0.45) CDK2CSNK2A1BCL6GSK3B
SCHEMBL29066869 0.67 CDK2 (0.45) CDK2CSNK2A1BCL6GSK3B
SCHEMBL15288383 0.66 CDK2 (0.61) CDK2CSNK2A1
SCHEMBL19753996 0.65 CDK2 (0.50) CDK2CSNK2A1BCL6CSNK2A2
SCHEMBL22413306 0.65 CDK2 (0.59) CDK2CSNK2A1CSNK2A2GSK3B

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-116693538-A Pyrazolopyrimidine derivative, and preparation method and application thereof 成都苑东生物制药股份有限公司 2023-09-05 — — CN disclosed
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