SCHEMBL17004145

SCHEMBL17004145

COC(=O)Oc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.78
AKT2 P31751 20/20 0.78

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
SCHEMBL17004173 0.91 AKT1 (0.77) AKT1AKT2
SCHEMBL17004155 0.90 AKT1 (0.73) AKT1AKT2
SCHEMBL17004160 0.90 AKT2 (0.80) AKT1AKT2
SCHEMBL17004150 0.89 AKT2 (0.73) AKT1AKT2
SCHEMBL17004153 0.88 AKT1 (0.72) AKT1AKT2
SCHEMBL17004149 0.88 AKT1 (0.74) AKT1AKT2
SCHEMBL360005 0.88 AKT2 (1.00) AKT1AKT2
SCHEMBL360117 0.87 AKT1 (1.00) AKT1AKT2
SCHEMBL362086 0.85 AKT1 (1.00) AKT1AKT2
SCHEMBL361939 0.84 AKT1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593451-B1 SUBSTITUTED IMIDAZO[1,2-A]PYRIMIDINES AND -PYRIDINES BAYER IP GMBH (DE) 2015-08-19 EP claimed