SCHEMBL3661056

SCHEMBL3661056

CCn1ncc2c(N3C4CCC3COC4)nc(-c3ccc(NC(=O)O)cc3)nc21

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.68
MTOR P42345 20/20 0.68

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
SCHEMBL53750 0.92 PIK3CA (0.71) PIK3CAMTOR
SCHEMBL54011 0.91 PIK3CA (0.81) PIK3CAMTOR
SCHEMBL55160 0.90 PIK3CA (0.72) PIK3CAMTOR
SCHEMBL54989 0.90 PIK3CA (0.69) PIK3CAMTOR
SCHEMBL55538 0.90 PIK3CA (0.69) PIK3CAMTOR
SCHEMBL3652124 0.89 PIK3CA (0.83) PIK3CAMTOR
SCHEMBL54761 0.88 PIK3CA (0.72) PIK3CAMTOR
SCHEMBL55351 0.88 PIK3CA (0.63) PIK3CAMTOR
SCHEMBL55320 0.88 PIK3CA (0.67) PIK3CAMTOR
SCHEMBL55109 0.88 PIK3CA (0.67) 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 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