SCHEMBL858899

SCHEMBL858899

Cc1nc2ncc(-c3ccc4c(c3)CN(c3ncnc5c3CCC(CCO)C5)CCO4)cc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.35
KIT P10721 2/20 0.31

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
SCHEMBL859124 0.94 PIK3CA (0.36) PIK3CAKIT
SCHEMBL858635 0.92 PIK3CA (0.35) PIK3CAKIT
SCHEMBL856544 0.90 PIK3CA (0.34) PIK3CAKIT
SCHEMBL861157 0.90 PIK3CA (0.34) PIK3CAKIT
SCHEMBL859086 0.89 PIK3CA (0.36) PIK3CAKIT
SCHEMBL855872 0.89 PIK3CA (0.36) PIK3CAKIT
SCHEMBL858913 0.89 PIK3CA (0.36) PIK3CAKIT
SCHEMBL858898 0.87 PIK3CA (0.37) PIK3CAKIT
SCHEMBL859718 0.86 PIK3CA (0.35) PIK3CAKIT
SCHEMBL859568 0.86 PIK3CA (0.39) PIK3CAKIT

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-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed