SCHEMBL4455870

SCHEMBL4455870

CC(C)CCc1nc(N)nc2nc[nH]c12

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.62
CDK1 P06493 14/20 0.62
CCNB1 P14635 14/20 0.62
CCNA2 P20248 13/20 0.62
CCNA1 P78396 13/20 0.62
PDPK1 O15530 1/20 0.51
GDA Q9Y2T3 1/20 0.51
MAP3K5 Q99683 1/20 0.49
DPP4 P27487 1/20 0.49
PIN1 Q13526 1/20 0.47
MGMT P16455 2/20 0.45
CYP1A2 P05177 1/20 0.44

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
SCHEMBL6141627 0.86 CDK2 (0.50) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL28021901 0.82 PDPK1 (0.49) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL7668710 0.80 PDPK1 (0.56) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL29720347 0.79 MAP3K5 (0.60) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL27870406 0.77 PDPK1 (0.61) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL29004761 0.77 CDK2 (0.59) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL7527095 0.77 CDK1 (0.49) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL7985300 0.77 CDK1 (1.00) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL30150749 0.76 PDPK1 (0.51) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL6950562 0.76 CDK1 (0.42) CDK2CDK1CCNB1CCNA2CCNA1

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-2052612-A1 Herbicide combination Bayer CropScience AG (DE) 2009-04-29 EP disclosed