SCHEMBL6576918

SCHEMBL6576918

CCn1cnc2c(Nc3ccc(NS(=O)(=O)c4ccc(OC)cc4)cc3)nc(NC3CCC(O)CC3)nc21

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 14/20 0.68
SRC P12931 1/20 0.53
PDGFRA P16234 5/20 0.49
CCNE1 P24864 5/20 0.49
CDK2 P24941 5/20 0.49
PRKCA P17252 1/20 0.49

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
SCHEMBL6576921 1.00 CDK1 (0.68) CDK1SRCPDGFRACCNE1CDK2
SCHEMBL6574978 0.93 CDK1 (0.76) CDK1PDGFRACCNE1CDK2PRKCA
SCHEMBL6574979 0.93 CDK1 (0.76) CDK1PDGFRACCNE1CDK2PRKCA
SCHEMBL6576093 0.92 CDK1 (0.64) CDK1SRCPDGFRACCNE1CDK2
SCHEMBL6576102 0.92 CDK1 (0.64) CDK1SRCPDGFRACCNE1CDK2
SCHEMBL6576038 0.91 CDK1 (0.70) CDK1SRCPDGFRACCNE1CDK2
SCHEMBL6576046 0.91 CDK1 (0.70) CDK1SRCPDGFRACCNE1CDK2
SCHEMBL6574832 0.91 CDK1 (0.70) CDK1SRCPDGFRACCNE1CDK2
SCHEMBL6574829 0.91 CDK1 (0.70) CDK1SRCPDGFRACCNE1CDK2
SCHEMBL6576044 0.90 CDK1 (0.71) CDK1SRCPDGFRACCNE1CDK2

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-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