SCHEMBL22585508

SCHEMBL22585508

C=C[C@@H]1CCC(n2c(=O)c(Br)c(C)c3cnc(NC4CCOC[C@H]4O)nc32)C1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.64
CCND1 P24385 20/20 0.64
CCND3 P30281 20/20 0.64
CDK6 Q00534 20/20 0.64

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
SCHEMBL22553513 0.87 CDK4 (0.77) CDK4CCND1CCND3CDK6
SCHEMBL22585850 0.87 CDK4 (0.78) CDK4CCND1CCND3CDK6
SCHEMBL22553603 0.87 CDK4 (0.78) CDK4CCND1CCND3CDK6
SCHEMBL22585440 0.87 CDK4 (0.78) CDK4CCND1CCND3CDK6
SCHEMBL22553607 0.87 CDK4 (0.78) CDK4CCND1CCND3CDK6
SCHEMBL22553580 0.82 CDK4 (0.81) CDK4CCND1CCND3CDK6
SCHEMBL22553543 0.82 CDK4 (0.81) CDK4CCND1CCND3CDK6
SCHEMBL22585506 0.82 CDK4 (0.81) CDK4CCND1CCND3CDK6
SCHEMBL22553610 0.82 CDK4 (0.79) CDK4CCND1CCND3CDK6
SCHEMBL22585442 0.82 CDK4 (0.79) 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
WO-2020212865-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH PFIZER INC. (US) 2020-10-22 WO disclosed