SCHEMBL18156589

SCHEMBL18156589

CCOc1c(C(=O)O)nc(-c2ccc(NC(=O)Nc3ccc(OCCN(C)C)cc3)cc2)nc1N1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.68
PIK3CA P42336 1/20 0.59
PIK3CG P48736 1/20 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
SCHEMBL2148776 0.92 MTOR (0.80) MTOR
SCHEMBL18156590 0.88 MTOR (0.86) MTORPIK3CAPIK3CG
SCHEMBL2148703 0.87 MTOR (0.85) MTOR
SCHEMBL17747079 0.87 MTOR (0.76) MTOR
SCHEMBL18142943 0.87 MTOR (0.70) MTORPIK3CAPIK3CG
SCHEMBL18142934 0.87 MTOR (0.84) MTOR
SCHEMBL18142963 0.86 MTOR (0.83) MTOR
SCHEMBL12463116 0.86 MTOR (0.65) MTORPIK3CAPIK3CG
SCHEMBL18143009 0.85 MTOR (0.84) MTOR
SCHEMBL18142939 0.85 MTOR (0.84) MTOR

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
EP-2519102-B1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DEV CENTER BIOTECHNOLOGY (TW) 2016-10-19 EP disclosed