SCHEMBL30888977

SCHEMBL30888977

CC(C)n1c(COC2CCCCO2)nc2c(F)cc(-c3nc(Cl)ncc3Cl)cc21

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 20/20 0.66
▸ CCND1 P24385 20/20 0.66
▸ CCND3 P30281 20/20 0.66
▸ CDK6 Q00534 20/20 0.66

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
SCHEMBL21522710 1.00 CDK4 (0.66) CDK4CCND1CCND3CDK6
SCHEMBL29268584 0.91 CDK4 (0.56) CDK4CCND1CCND3CDK6
SCHEMBL21522659 0.86 CDK4 (0.52) CDK4CCND1CCND3CDK6
SCHEMBL21522851 0.84 CDK4 (0.77) CDK4CCND1CCND3CDK6
SCHEMBL21522731 0.80 CDK4 (1.00) CDK4CCND1CCND3CDK6
SCHEMBL30888969 0.80 CDK4 (0.49) CDK4CCND1CCND3CDK6
SCHEMBL21522786 0.80 CDK4 (0.49) CDK4CCND1CCND3CDK6
SCHEMBL30889003 0.76 CDK4 (0.45) CDK4CCND1CCND3CDK6
SCHEMBL29268589 0.76 CDK4 (0.45) CDK4CCND1CCND3CDK6
SCHEMBL19836706 0.75 CDK4 (0.54) CDK4CCND1CCND3CDK6

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-118286225-A 2-Amino-pyridine or 2-amino-pyrimidine derivatives as cyclin dependent kinase inhibitors 辉瑞公司 2024-07-05 — — CN disclosed
CN-112313219-B 2-Amino-pyridine or 2-amino-pyrimidine derivatives as cyclin dependent kinase inhibitors 辉瑞公司 2024-04-26 — — CN disclosed
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