SCHEMBL6576016

SCHEMBL6576016

CCn1cnc2c(Nc3ccc(NC(=O)OCC(C)C)cc3)nc(N[C@H]3CC[C@H](O)CC3)nc21

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 13/20 0.69
SRC P12931 1/20 0.54
PDGFRA P16234 6/20 0.53
CCNE1 P24864 6/20 0.53
CDK2 P24941 6/20 0.53
PRKCA P17252 1/20 0.50

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
SCHEMBL6576012 1.00 CDK1 (0.69) CDK1SRCPDGFRACCNE1CDK2
SCHEMBL6576100 0.92 CDK1 (0.69) CDK1PDGFRACCNE1CDK2PRKCA
SCHEMBL6576095 0.92 CDK1 (0.69) CDK1PDGFRACCNE1CDK2PRKCA
SCHEMBL6578906 0.90 CDK1 (0.75) CDK1SRCPDGFRACCNE1CDK2
SCHEMBL6576036 0.90 CDK1 (0.75) CDK1SRCPDGFRACCNE1CDK2
SCHEMBL6578314 0.85 CDK1 (0.69) CDK1SRCPDGFRACCNE1CDK2
SCHEMBL6578317 0.85 CDK1 (0.69) CDK1SRCPDGFRACCNE1CDK2
SCHEMBL5840468 0.83 CDK1 (0.84) CDK1SRCPDGFRACCNE1CDK2
SCHEMBL5840463 0.83 CDK1 (0.84) CDK1SRCPDGFRACCNE1CDK2
SCHEMBL6576120 0.82 CDK1 (0.77) CDK1PDGFRACCNE1CDK2PRKCA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6767906-B2 INHIBIT P34CDC2/CYCLIN BCDC13 KINASE AND PROTEIN TYROSINE KINASE PP60C-SRC AND CAN BE USED FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES, FOR EXAMPLE CHEMOTHERAPY OF TUMOURS OR OSTEOPOROSIS. NOVARTIS AG (CH) 2004-07-27 US claimed
JP-2002537300-A 2002-11-05 JP claimed
EP-1153024-A1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2001-11-14 EP claimed
WO-2000049018-A1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2000-08-24 WO claimed
EP-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP disclosed