SCHEMBL30557482

SCHEMBL30557482

CC(C)C1(C)COc2c(F)cc(-c3nc(N[C@@H]4CCOC[C@H]4O)ncc3Cl)cc21

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.59
CCND1 P24385 20/20 0.59
CCND3 P30281 20/20 0.59
CDK6 Q00534 20/20 0.59

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
SCHEMBL30557320 1.00 CDK4 (0.59) CDK4CCND1CCND3CDK6
SCHEMBL30557252 1.00 CDK4 (0.59) CDK4CCND1CCND3CDK6
SCHEMBL30557254 0.88 CDK4 (0.59) CDK4CCND1CCND3CDK6
SCHEMBL30557359 0.88 CDK4 (0.59) CDK4CCND1CCND3CDK6
SCHEMBL30557394 0.88 CDK4 (0.59) CDK4CCND1CCND3CDK6
SCHEMBL25254523 0.81 CDK4 (0.61) CDK4CCND1CCND3CDK6
SCHEMBL25782069 0.81 CDK4 (0.61) CDK4CCND1CCND3CDK6
SCHEMBL25781734 0.80 CDK4 (0.61) CDK4CCND1CCND3CDK6
SCHEMBL25248785 0.80 CDK4 (0.61) CDK4CCND1CCND3CDK6
SCHEMBL25255673 0.80 CDK4 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116693510-A Dihydrobenzofuran compound, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2023-09-05 CN disclosed