SCHEMBL3709863

SCHEMBL3709863

c1ccc(-c2cn3nc(C4CCC4)nc3nc2-c2ccc(CN3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.72
AKT2 P31751 19/20 0.72

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
SCHEMBL16487783 0.97 AKT1 (0.76) AKT1AKT2
SCHEMBL2967064 0.95 AKT1 (0.67) AKT1AKT2
SCHEMBL2962977 0.92 AKT1 (0.71) AKT1AKT2
Hydrochloric Acid SCHEMBL2970738 0.91 AKT1 (0.70) AKT1AKT2
SCHEMBL3706973 0.90 AKT1 (0.75) AKT1AKT2
SCHEMBL3708859 0.87 AKT1 (0.76) AKT1AKT2
SCHEMBL16487771 0.87 AKT1 (0.76) AKT1AKT2
SCHEMBL13256561 0.87 AKT1 (0.71) AKT1AKT2
SCHEMBL3709187 0.87 AKT1 (0.76) AKT1AKT2
SCHEMBL3706275 0.87 AKT1 (0.77) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396330-A1 FUSED PYRIMIDINES Bayer Pharma Aktiengesellschaft (DE) 2011-12-21 EP disclosed
WO-2010091808-A1 FUSED PYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-19 WO disclosed