SCHEMBL5502139

SCHEMBL5502139

COc1cc(Nc2ccnc3cc(I)c(OC)cc23)c(Cl)cc1Cl

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.81
EGFR P00533 6/20 0.53
RIPK2 O43353 4/20 0.53
NOD1 Q9Y239 1/20 0.53
GAK O14976 7/20 0.49
COQ8A Q8NI60 3/20 0.49
NLK Q9UBE8 3/20 0.49
ABL1 P00519 2/20 0.49
BMPR1B O00238 1/20 0.49
EPHB6 O15197 1/20 0.49
LCK P06239 1/20 0.49
EPHA1 P21709 1/20 0.49
EPHA8 P29322 1/20 0.49
ACVR1 Q04771 1/20 0.49
MAP2K5 Q13163 1/20 0.49
BCR P11274 1/20 0.47
FGFR1 P11362 2/20 0.46
FLT1 P17948 2/20 0.46
KDR P35968 1/20 0.46
RAF1 P04049 1/20 0.44

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
SCHEMBL5510530 0.92 SRC (0.73) SRCEGFRRIPK2NOD1GAK
SCHEMBL19617953 0.85 SRC (0.81) SRCEGFRRIPK2NOD1GAK
SCHEMBL19209424 0.85 SRC (0.81) SRCEGFRRIPK2NOD1GAK
SCHEMBL7015603 0.85 SRC (0.73) SRCEGFRRIPK2NOD1GAK
SCHEMBL6188668 0.81 SRC (0.82) SRCEGFRRIPK2NOD1GAK
SCHEMBL6185479 0.81 SRC (0.73) SRCEGFRRIPK2NOD1GAK
SCHEMBL7012160 0.81 SRC (0.73) SRCEGFRRIPK2NOD1GAK
SCHEMBL19209392 0.79 SRC (0.77) SRCEGFRRIPK2NOD1GAK
SCHEMBL22766354 0.79 SRC (0.48) SRCEGFRRIPK2GAKCOQ8A
SCHEMBL7014373 0.77 SRC (0.67) SRCEGFRRIPK2NOD1GAK

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-1802581-A1 4 [(2,4-DICHLORO-5-METHOXYPHENYL)AMINO]-6-ALKOXY-7-ETHYNYL-3-QUINOLINECARBONITRILES FOR THE TREATMENT OF ISCHEMIC INJURY Wyeth a Corporation of the State of Delaware (US) 2007-07-04 EP disclosed
WO-2006047262-A1 4 [(2,4-DICHLORO-5-METHOXYPHENYL)AMINO]-6-ALKOXY-7-ETHYNYL-3-QUINOLINECARBONITRILES FOR THE TREATMENT OF ISCHEMIC INJURY WYETH (US) 2006-05-04 WO disclosed