SCHEMBL861940

SCHEMBL861940

CCCc1c(C)nc(CN(C)C)nc1N1CCOc2ccc(-c3ccc4[nH]c(C(F)F)nc4c3)cc2C1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.32
CREBBP Q92793 1/20 0.30

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
SCHEMBL3757624 0.89 PIK3CA (0.31) PIK3CACREBBP
SCHEMBL856227 0.89 PIK3CA (0.33) PIK3CACREBBP
SCHEMBL861939 0.88 PIK3CA (0.33) PIK3CACREBBP
SCHEMBL8533202 0.85 PIK3CA (0.40) PIK3CACREBBP
SCHEMBL3762884 0.84 PIK3CA (0.45) PIK3CACREBBP
SCHEMBL855544 0.84 PIK3CA (0.40) PIK3CACREBBP
SCHEMBL8516266 0.84 PIK3CA (0.38) PIK3CACREBBP
SCHEMBL3767993 0.82 PIK3CA (0.38) PIK3CACREBBP
SCHEMBL3760365 0.80 PIK3CD (0.30)
SCHEMBL3755339 0.80 PIK3CA (0.39) PIK3CACREBBP

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