SCHEMBL9976190

SCHEMBL9976190

Nc1ccc(-c2ccc3nn4cc(-c5ccccc5)c(-c5ccc(C6(N)CCC6)cc5)nc4c3c2)cc1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.84

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
SCHEMBL15388088 0.92 AKT1 (1.00) AKT1
SCHEMBL15388459 0.92 AKT1 (1.00) AKT1
SCHEMBL9976137 0.92 AKT1 (1.00) AKT1
SCHEMBL9976188 0.90 AKT1 (1.00) AKT1
SCHEMBL15388287 0.89 AKT1 (1.00) AKT1
SCHEMBL9976135 0.88 AKT1 (1.00) AKT1
SCHEMBL9976108 0.88 AKT1 (1.00) AKT1
SCHEMBL9976198 0.88 AKT1 (0.79) AKT1
SCHEMBL15388305 0.88 AKT1 (1.00) AKT1
SCHEMBL9976195 0.87 AKT1 (1.00) AKT1

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
WO-2012080237-A1 SUBSTITUTED PYRIMIDO[1,2-B]INDAZOLES AND THEIR USE AS MODULATORS OF THE PI3K/AKT PATHWAY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 WO disclosed