SCHEMBL16872575

SCHEMBL16872575

CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@@H]5C[C@H]4CN5C(=O)O)cn3)nc2n1C1CCCC1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 0.78
CDK1 P06493 8/20 0.76

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
SCHEMBL16882815 0.92 CDK4 (0.76) CDK4CDK1
SCHEMBL16872561 0.90 CDK4 (0.77) CDK4CDK1
SCHEMBL15012106 0.90 CDK4 (0.72) CDK4CDK1
SCHEMBL2301687 0.90 CDK4 (0.72) CDK4CDK1
SCHEMBL2301691 0.90 CDK4 (0.72) CDK4CDK1
SCHEMBL12426734 0.90 CDK4 (0.72) CDK4CDK1
SCHEMBL15032353 0.90 CDK4 (0.72) CDK4CDK1
SCHEMBL16882804 0.89 CDK4 (0.78) CDK4CDK1
SCHEMBL15032360 0.89 CDK4 (0.72) CDK4CDK1
SCHEMBL2298920 0.89 CDK4 (0.72) CDK4CDK1

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
EP-2536730-B1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2015-07-08 EP disclosed