SCHEMBL6892573

SCHEMBL6892573

C=C(N)/C=C\C(=C/N)c1c(CC)ncnc1-c1ccc(C(=O)N2CCN(C(C)C)CC2)c(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.59
PIK3CA P42336 19/20 0.59

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
SCHEMBL6893303 0.81 PIK3CA (0.58) MTORPIK3CA
SCHEMBL6891826 0.79 PIK3CA (0.59) MTORPIK3CA
SCHEMBL6893357 0.79 PIK3CA (0.56) MTORPIK3CA
SCHEMBL6894270 0.78 PIK3CA (0.59) MTORPIK3CA
SCHEMBL6892786 0.78 PIK3CA (0.58) MTORPIK3CA
SCHEMBL10158214 0.77 MTOR (0.77) MTORPIK3CA
SCHEMBL6894234 0.77 PIK3CA (0.57) MTORPIK3CA
SCHEMBL6894283 0.77 PIK3CA (0.59) MTORPIK3CA
SCHEMBL6893416 0.77 PIK3CA (0.59) MTORPIK3CA
SCHEMBL6893449 0.76 PIK3CA (0.58) 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