SCHEMBL3712917

SCHEMBL3712917

CCn1ncc2c(N3CC4CCC(C3)O4)nc(-c3ccccc3)nc21

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.76
PIK3CA P42336 19/20 0.76

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
SCHEMBL3656643 0.89 MTOR (0.67) MTORPIK3CA
SCHEMBL55204 0.89 MTOR (0.69) MTORPIK3CA
SCHEMBL56205 0.88 PIK3CA (0.64) MTORPIK3CA
SCHEMBL55412 0.87 MTOR (1.00) MTORPIK3CA
SCHEMBL3659399 0.85 MTOR (0.85) MTORPIK3CA
SCHEMBL54835 0.85 MTOR (0.71) MTORPIK3CA
SCHEMBL56227 0.85 MTOR (0.67) MTORPIK3CA
SCHEMBL55309 0.82 PIK3CA (1.00) MTORPIK3CA
SCHEMBL55159 0.82 MTOR (0.66) MTORPIK3CA
SCHEMBL56563 0.82 PIK3CA (0.59) 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 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