SCHEMBL3712282

SCHEMBL3712282

COCCNS(=O)(=O)c1cccc(-c2ccc3nc(NC(C)=O)sc3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.61
AKT1 P31749 10/20 0.61
MTOR P42345 8/20 0.61
PIK3CG P48736 7/20 0.60

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
SCHEMBL13188175 0.89 PIK3CG (0.64) PIK3CAAKT1MTORPIK3CG
SCHEMBL3715092 0.87 PIK3CG (0.61) PIK3CAAKT1MTORPIK3CG
SCHEMBL3869294 0.87 PIK3CG (0.66) PIK3CAAKT1MTORPIK3CG
SCHEMBL3720394 0.86 PIK3CG (0.60) PIK3CAAKT1MTORPIK3CG
SCHEMBL3708047 0.83 PIK3CG (0.66) PIK3CAAKT1MTORPIK3CG
SCHEMBL3869295 0.82 PIK3CG (0.72) PIK3CAAKT1MTORPIK3CG
SCHEMBL3708465 0.82 PIK3CG (0.65) PIK3CAAKT1MTORPIK3CG
SCHEMBL3713333 0.82 PIK3CG (0.59) PIK3CAAKT1MTORPIK3CG
SCHEMBL3709005 0.82 PIK3CG (0.61) PIK3CAAKT1MTORPIK3CG
SCHEMBL3882675 0.81 PIK3CG (0.70) PIK3CAAKT1MTORPIK3CG

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
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed