SCHEMBL425677

SCHEMBL425677

CN=C(Nc1cccc(C)c1)Nc1nc(N2CCOCC2)nc2cc(OC)c(OCCN3CCOCC3)cc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.56
KDR P35968 5/20 0.56
BRAF P15056 1/20 0.56
FLT3 P36888 1/20 0.49
EHMT2 Q96KQ7 4/20 0.48
EHMT1 Q9H9B1 3/20 0.48
SRC P12931 1/20 0.47
ROCK2 O75116 1/20 0.47
MAPK14 Q16539 1/20 0.46
EPHA2 P29317 1/20 0.46
EPHB4 P54760 1/20 0.46
PDGFRB P09619 1/20 0.45
RET P07949 1/20 0.45
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45

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
SCHEMBL10160948 1.00 EGFR (0.56) EGFRKDRBRAFFLT3EHMT2
SCHEMBL13622708 0.93 EGFR (0.56) EGFRKDRBRAFFLT3EHMT2
SCHEMBL10160950 0.92 EGFR (0.53) EGFRKDRBRAFFLT3EHMT2
SCHEMBL428513 0.92 EGFR (0.53) EGFRKDRBRAFFLT3EHMT2
SCHEMBL10160951 0.90 EGFR (0.54) EGFRKDRBRAFFLT3EHMT2
SCHEMBL426640 0.90 EGFR (0.54) EGFRKDRBRAFFLT3EHMT2
SCHEMBL4121881 0.90 BRAF (0.67) EGFRKDRBRAFFLT3ROCK2
SCHEMBL426005 0.90 EGFR (0.57) EGFRKDRBRAFFLT3EHMT2
SCHEMBL458720 0.90 EGFR (0.57) EGFRKDRBRAFFLT3EHMT2
SCHEMBL425676 0.86 EGFR (0.48) EGFRKDRBRAFEHMT2EHMT1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687002-A4 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2008-07-23 EP claimed
JP-2007510745-A 2007-04-26 JP claimed
EP-1687002-A1 FUSED HETEROCYCLIC COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-09 EP claimed
WO-2005046698-A1 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 WO claimed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
EP-1687002-A4 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2008-07-23 EP disclosed
EP-1687002-A1 FUSED HETEROCYCLIC COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-09 EP disclosed
WO-2005046698-A1 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 WO disclosed