SCHEMBL855635

SCHEMBL855635

COc1cc2nccc(N3CCOc4ccc(-c5ccc6nc(N(C)C(=O)O)[nH]c6c5)cc4C3)c2cc1OC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.40
PIK3CA P42336 4/20 0.40
KDR P35968 10/20 0.39
LCK P06239 9/20 0.38
MET P08581 8/20 0.38
TEK Q02763 4/20 0.38
GPR142 Q7Z601 2/20 0.37
EHMT2 Q96KQ7 1/20 0.37
EHMT1 Q9H9B1 1/20 0.37
PDGFRB P09619 1/20 0.37
CREBBP Q92793 1/20 0.36

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
SCHEMBL857943 0.92 NCF1 (0.38) NCF1PIK3CAKDRLCKMET
SCHEMBL856679 0.88 PDE10A (0.42) PIK3CAKDRPDGFRB
SCHEMBL861578 0.88 CREBBP (0.46) PIK3CAGPR142CREBBP
SCHEMBL3717304 0.86 PIK3CA (0.42) NCF1PIK3CAKDRLCKMET
SCHEMBL857346 0.85 NCF1 (0.45) NCF1PIK3CAKDRLCKMET
SCHEMBL7865632 0.85 NCF1 (0.41) NCF1PIK3CAKDRLCKMET
SCHEMBL858428 0.82 NCF1 (0.42) NCF1PIK3CAKDRLCKMET
SCHEMBL856104 0.81 CREBBP (0.46) PIK3CAGPR142CREBBP
SCHEMBL3756056 0.80 PIK3CA (0.43) PIK3CAGPR142CREBBP
SCHEMBL857760 0.80 CLK4 (0.43) PIK3CAGPR142PDGFRB

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 1 patent. 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