SCHEMBL2363949

SCHEMBL2363949

O=C(O)c1cc2cnc(Nc3ccc(C(=O)N4CC5CCC(C4)N5)cn3)nc2n1C1CCN(C2CC2)CC1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 0.83
CDK1 P06493 7/20 0.70

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
SCHEMBL2298517 0.91 CDK4 (1.00) CDK4CDK1
SCHEMBL2303440 0.90 CDK4 (0.85) CDK4CDK1
SCHEMBL2301538 0.83 CDK4 (1.00) CDK4CDK1
SCHEMBL2301936 0.83 CDK4 (0.84) CDK4CDK1
SCHEMBL2301937 0.83 CDK4 (0.84) CDK4CDK1
SCHEMBL2305943 0.83 CDK4 (0.84) CDK4CDK1
SCHEMBL2298709 0.82 CDK4 (1.00) CDK4CDK1
SCHEMBL2298769 0.82 CDK4 (1.00) CDK4CDK1
SCHEMBL2301180 0.82 CDK4 (1.00) CDK4CDK1
SCHEMBL2301446 0.82 CDK4 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536730-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 Novartis AG (CH) 2012-12-26 EP disclosed
WO-2011101409-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2011-08-25 WO disclosed