SCHEMBL6892527

SCHEMBL6892527

C=C(N)/C=C\C(C#Cc1c(CC)ncnc1-c1ccc(C(=O)N2CCN(C3COC3)CC2)c(F)c1)=C/N

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.71
PIK3CA P42336 19/20 0.71

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
SCHEMBL6893757 0.92 PIK3CA (0.71) MTORPIK3CA
SCHEMBL6891643 0.89 PIK3CA (0.61) MTORPIK3CA
SCHEMBL6890820 0.88 PIK3CA (0.71) MTORPIK3CA
SCHEMBL6891416 0.88 PIK3CA (0.71) MTORPIK3CA
SCHEMBL6892974 0.85 PIK3CA (0.70) MTORPIK3CA
SCHEMBL6894663 0.85 PIK3CA (0.69) MTORPIK3CA
SCHEMBL6894281 0.85 PIK3CA (0.69) MTORPIK3CA
SCHEMBL6892605 0.83 PIK3CA (0.71) MTORPIK3CA
SCHEMBL6893397 0.83 MTOR (1.00) MTORPIK3CA
SCHEMBL6893353 0.82 PIK3CA (0.69) MTORPIK3CA

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-2011092198-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed