SCHEMBL4069009

SCHEMBL4069009

O=C(O)c1cn2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)nc2n1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.59
AKT2 P31751 19/20 0.59
KCNH2 Q12809 2/20 0.47

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
SCHEMBL17644726 0.93 AKT1 (0.65) AKT1AKT2
SCHEMBL2967042 0.91 AKT1 (0.61) AKT1AKT2
SCHEMBL2968108 0.87 AKT1 (0.58) AKT1AKT2
SCHEMBL2970988 0.87 AKT1 (0.68) AKT1AKT2
SCHEMBL2969881 0.87 AKT1 (0.54) AKT1AKT2
SCHEMBL2964272 0.85 AKT1 (0.52) AKT1AKT2KCNH2
SCHEMBL3706697 0.85 AKT1 (0.77) AKT1AKT2
SCHEMBL2967050 0.84 AKT1 (0.50) AKT1AKT2KCNH2
SCHEMBL2962977 0.83 AKT1 (0.71) AKT1AKT2
SCHEMBL2979542 0.83 AKT1 (0.57) AKT1AKT2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188291-B1 FUSED BICYCLIC PYRIMIDINES Bayer Pharma AG (DE) 2012-09-19 EP claimed
EP-2050748-A1 Novel fused pyrimidines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-22 EP claimed
EP-2050748-A1 Novel fused pyrimidines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-22 EP disclosed