SCHEMBL9976102

SCHEMBL9976102

Bc1ccc2c(c1)nn1cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc21

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.79

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
SCHEMBL9976198 0.92 AKT1 (0.79) AKT1
SCHEMBL15395260 0.89 AKT1 (1.00) AKT1
Hydrochloric Acid SCHEMBL15388053 0.88 AKT1 (0.98) AKT1
SCHEMBL15388312 0.87 AKT1 (1.00) AKT1
SCHEMBL9976115 0.84 AKT1 (1.00) AKT1
SCHEMBL9975955 0.84 AKT1 (1.00) AKT1
SCHEMBL9976147 0.84 AKT1 (1.00) AKT1
SCHEMBL15388195 0.84 AKT1 (1.00) AKT1
SCHEMBL15388132 0.84 AKT1 (0.76) AKT1
SCHEMBL9976106 0.84 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