SCHEMBL6576946

SCHEMBL6576946

CC(C)n1cnc2c(Nc3cccc(NC(=O)Oc4ccc(-c5ccccc5)cc4)c3)nc(NC3CCC(O)CC3)nc21

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 16/20 0.60
CCNA2 P20248 16/20 0.60
CCNE1 P24864 16/20 0.60
CDK2 P24941 16/20 0.60
CCNA1 P78396 16/20 0.60
CDK1 P06493 4/20 0.55

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
SCHEMBL6775420 0.89 CCNE2 (0.63) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL6576952 0.84 CDK1 (0.74) CCNE1CDK2CDK1
SCHEMBL6576948 0.84 CDK1 (0.74) CCNE1CDK2CDK1
SCHEMBL6770758 0.82 CDK1 (0.56) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL6574922 0.81 CDK1 (0.71) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL6770841 0.81 CDK1 (0.55) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL6574956 0.80 CDK1 (0.65) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL6770594 0.78 CDK1 (0.55) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL6775328 0.78 CDK1 (0.60) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL6775192 0.78 CDK1 (0.54) CCNE2CCNA2CCNE1CDK2CCNA1

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 1 patent. 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