SCHEMBL3659896

SCHEMBL3659896

[c]1ccc(-c2nc(N3CC4CCC(C3)O4)c3sccc3n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.76
PIK3CA P42336 18/20 0.76
PRKCI P41743 1/20 0.55

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
SCHEMBL55958 0.86 MTOR (1.00) MTORPIK3CAPRKCI
SCHEMBL55812 0.86 MTOR (1.00) MTORPIK3CAPRKCI
SCHEMBL55752 0.82 MTOR (1.00) MTORPIK3CAPRKCI
SCHEMBL55781 0.80 MTOR (0.63) MTORPIK3CAPRKCI
SCHEMBL55500 0.80 MTOR (1.00) MTORPIK3CAPRKCI
SCHEMBL55723 0.80 PIK3CA (1.00) MTORPIK3CA
Hydrochloric Acid SCHEMBL56427 0.79 MTOR (0.62) MTORPIK3CAPRKCI
SCHEMBL53786 0.79 MTOR (1.00) MTORPIK3CA
SCHEMBL56648 0.78 MTOR (0.70) MTORPIK3CAPRKCI
SCHEMBL55840 0.78 MTOR (1.00) MTORPIK3CAPRKCI

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212333-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth LLC (US) 2010-08-04 EP claimed
WO-2009052145-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-23 WO claimed
EP-2212333-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth LLC (US) 2010-08-04 EP disclosed
WO-2009052145-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-23 WO disclosed