SCHEMBL362872

SCHEMBL362872

Cc1nc2nc(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)c(NC3CCC(O)CC3)n2n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 12/20 0.47
AKT2 P31751 9/20 0.47
CKS1B P61024 2/20 0.37
SKP1 P63208 2/20 0.37
SKP2 Q13309 2/20 0.37
MAPK8 P45983 4/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
TACR3 P29371 1/20 0.34

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
SCHEMBL10279756 1.00 AKT1 (0.47) AKT1AKT2CKS1BSKP1SKP2
SCHEMBL10279754 0.97 AKT1 (0.49) AKT1AKT2CKS1BSKP1SKP2
SCHEMBL15116250 0.95 AKT1 (0.48) AKT1AKT2CKS1BSKP1SKP2
SCHEMBL10279755 0.88 AKT1 (0.51) AKT1AKT2CKS1BSKP1SKP2
SCHEMBL362189 0.87 AKT1 (0.52) AKT1AKT2CKS1BSKP1SKP2
SCHEMBL10279926 0.86 AKT1 (0.47) AKT1AKT2CKS1BSKP1SKP2
SCHEMBL10279771 0.85 AKT1 (0.46) AKT1AKT2CKS1BSKP1SKP2
SCHEMBL10279928 0.85 AKT1 (0.49) AKT1AKT2CKS1BSKP1SKP2
SCHEMBL361759 0.85 AKT1 (0.53) AKT1AKT2CKS1BSKP1SKP2
SCHEMBL15106808 0.85 AKT1 (0.49) AKT1AKT2CKS1BSKP1SKP2

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-2593458-A1 BICYCLIC PYRIMIDINES Bayer Intellectual Property GmbH (DE) 2013-05-22 EP disclosed
WO-2012007416-A1 BICYCLIC PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 WO disclosed