SCHEMBL6576952

SCHEMBL6576952

CCn1cnc2c(Nc3cccc(NC(=O)Oc4ccccc4)c3)nc(N[C@H]3CC[C@H](O)CC3)nc21

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 16/20 0.74
PRKCA P17252 2/20 0.58
CCNB2 O95067 1/20 0.54
CCNB1 P14635 1/20 0.54
CCNB3 Q8WWL7 1/20 0.54
PDGFRA P16234 4/20 0.51
CCNE1 P24864 4/20 0.51
CDK2 P24941 4/20 0.51
EGFR P00533 1/20 0.51

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
SCHEMBL6576948 1.00 CDK1 (0.74) CDK1PRKCACCNB2CCNB1CCNB3
SCHEMBL6578314 0.93 CDK1 (0.69) CDK1PRKCACCNB2CCNB1CCNB3
SCHEMBL6578317 0.93 CDK1 (0.69) CDK1PRKCACCNB2CCNB1CCNB3
SCHEMBL6576122 0.91 CDK1 (0.77) CDK1PRKCACCNB2CCNB1CCNB3
SCHEMBL6576120 0.91 CDK1 (0.77) CDK1PRKCACCNB2CCNB1CCNB3
SCHEMBL6576100 0.87 CDK1 (0.69) CDK1PRKCACCNB2CCNB1CCNB3
SCHEMBL6576095 0.87 CDK1 (0.69) CDK1PRKCACCNB2CCNB1CCNB3
SCHEMBL5840235 0.85 CDK1 (1.00) CDK1PRKCACCNB2CCNB1CCNB3
SCHEMBL5840229 0.85 CDK1 (1.00) CDK1PRKCACCNB2CCNB1CCNB3
SCHEMBL6574902 0.85 CDK1 (0.71) CDK1PRKCACCNB2CCNB1CCNB3

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 3 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
EP-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP claimed
EP-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP disclosed