SCHEMBL25286604

SCHEMBL25286604

CCC1(CC)C(C)=Nc2c(F)cc(-c3nc(N[C@@H]4CCOC[C@H]4O)ncc3Cl)cc21

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.58
CCND1 P24385 20/20 0.58
CCND3 P30281 20/20 0.58
CDK6 Q00534 20/20 0.58

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
SCHEMBL25782181 1.00 CDK4 (0.58) CDK4CCND1CCND3CDK6
SCHEMBL25781722 0.91 CDK4 (0.60) CDK4CCND1CCND3CDK6
SCHEMBL25781728 0.91 CDK4 (0.60) CDK4CCND1CCND3CDK6
SCHEMBL25242393 0.91 CDK4 (0.60) CDK4CCND1CCND3CDK6
SCHEMBL25781729 0.91 CDK4 (0.60) CDK4CCND1CCND3CDK6
SCHEMBL25248785 0.90 CDK4 (0.61) CDK4CCND1CCND3CDK6
SCHEMBL25781734 0.90 CDK4 (0.61) CDK4CCND1CCND3CDK6
SCHEMBL25294211 0.88 CDK4 (0.59) CDK4CCND1CCND3CDK6
SCHEMBL25781732 0.88 CDK4 (0.59) CDK4CCND1CCND3CDK6
SCHEMBL25254178 0.87 CDK4 (0.58) 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
WO-2023116862-A1 HYDROGENATED INDOLE COMPOUND, AND PREPARATION METHOD AND MEDICAL USE THEREFOR 江苏恒瑞医药股份有限公司 2023-06-29 WO disclosed
WO-2023116862-A1 HYDROGENATED INDOLE COMPOUND, AND PREPARATION METHOD AND MEDICAL USE THEREFOR 江苏恒瑞医药股份有限公司 2023-06-29 WO disclosed