SCHEMBL361079

SCHEMBL361079

CC(C)(C)Nc1c(-c2ccccc2)c(-c2ccc(C3(NC(=O)O)CCC3)cc2)nc2nc(-c3ccccn3)nn12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 17/20 0.47
AKT2 P31751 15/20 0.47
BRD4 O60885 1/20 0.37
TOP2A P11388 1/20 0.35
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
SCHEMBL362017 0.93 AKT1 (0.46) AKT1AKT2BRD4
SCHEMBL362285 0.86 AKT1 (0.48) AKT1AKT2
SCHEMBL10279771 0.85 AKT1 (0.46) AKT1AKT2
SCHEMBL10279772 0.78 AKT1 (0.44) AKT1AKT2
SCHEMBL362088 0.76 AKT1 (0.57) AKT1AKT2
SCHEMBL362037 0.74 AKT1 (0.46) AKT1AKT2BRD4TOP2A
SCHEMBL10279755 0.73 AKT1 (0.51) AKT1AKT2TACR3
SCHEMBL362189 0.73 AKT1 (0.52) AKT1AKT2TACR3
SCHEMBL10279754 0.72 AKT1 (0.49) AKT1AKT2TACR3
SCHEMBL15116250 0.72 AKT1 (0.48) AKT1AKT2TACR3

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