SCHEMBL3662372

SCHEMBL3662372

[c]1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCN(Cc5ccccc5)CC4)c3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.64
MTOR P42345 20/20 0.64
PIK3CG P48736 2/20 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
SCHEMBL3990027 0.88 PIK3CA (0.82) PIK3CAMTORPIK3CG
SCHEMBL3654436 0.86 PIK3CA (0.74) PIK3CAMTOR
SCHEMBL53928 0.85 PIK3CA (0.56) PIK3CAMTORPIK3CG
SCHEMBL60353 0.84 PIK3CA (0.56) PIK3CAMTORPIK3CG
SCHEMBL55397 0.82 PIK3CA (0.63) PIK3CAMTORPIK3CG
SCHEMBL3659164 0.82 PIK3CA (0.69) PIK3CAMTOR
SCHEMBL55590 0.82 PIK3CA (0.75) PIK3CAMTOR
SCHEMBL3657075 0.81 PIK3CA (0.70) PIK3CAMTOR
SCHEMBL3984978 0.81 PIK3CA (0.76) PIK3CAMTORPIK3CG
SCHEMBL54855 0.80 PIK3CA (0.88) PIK3CAMTOR

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 2 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