SCHEMBL6574896

SCHEMBL6574896

CCn1cnc2c(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)nc(NC3CCC(O)CC3)nc21

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 13/20 0.71
SRC P12931 1/20 0.55
PRKCA P17252 1/20 0.51
PDGFRA P16234 6/20 0.51
CCNE1 P24864 6/20 0.51
CDK2 P24941 6/20 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
SCHEMBL6574816 1.00 CDK1 (0.71) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL6576961 0.99 CDK1 (0.70) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL6576959 0.99 CDK1 (0.70) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL6574762 0.99 CDK1 (0.70) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL6574758 0.99 CDK1 (0.70) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL6574778 0.94 CDK1 (0.69) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL6574780 0.94 CDK1 (0.69) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL6574755 0.93 CDK1 (0.68) CDK1SRC
SCHEMBL6574759 0.93 CDK1 (0.68) CDK1SRC
SCHEMBL6576940 0.90 CDK1 (0.64) CDK1SRCPRKCAPDGFRACCNE1

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