SCHEMBL2594637

SCHEMBL2594637

CCCNS(=O)(=O)c1ccc2nccc(Nc3ccc(Cl)c(OC)c3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 10/20 0.55
RIPK2 O43353 11/20 0.48
COQ8A Q8NI60 8/20 0.48
NLK Q9UBE8 8/20 0.48
EGFR P00533 2/20 0.47
KDR P35968 1/20 0.44
EPHB6 O15197 3/20 0.44
ABL1 P00519 3/20 0.44
LCK P06239 2/20 0.44
EPHA1 P21709 2/20 0.44
EPHA8 P29322 2/20 0.44
TXK P42681 1/20 0.44
ACVR1 Q04771 2/20 0.44
STK16 O75716 1/20 0.44
AAK1 Q2M2I8 1/20 0.44
RIPK1 Q13546 2/20 0.43
SRC P12931 2/20 0.43
RIPK3 Q9Y572 1/20 0.42
BMPR1B O00238 1/20 0.42
MAP2K5 Q13163 1/20 0.42

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
SCHEMBL12180661 0.85 GAK (0.74) GAKRIPK2COQ8ANLKEGFR
SCHEMBL2594633 0.85 ALDH1A1 (0.60) GAKRIPK2COQ8ANLKEGFR
SCHEMBL2589417 0.84 GAK (0.61) GAKRIPK2COQ8ANLKEGFR
SCHEMBL2596047 0.82 RIPK1 (0.63) GAKRIPK2COQ8ANLKEGFR
SCHEMBL2594398 0.82 RIPK2 (0.59) GAKRIPK2COQ8ANLKEGFR
SCHEMBL2595311 0.82 GAK (0.59) GAKRIPK2COQ8ANLKEGFR
SCHEMBL12180836 0.79 GAK (0.52) GAKRIPK2COQ8ANLKEGFR
SCHEMBL12180665 0.78 ERBB2 (0.55) GAKRIPK2COQ8ANLKEGFR
SCHEMBL2594532 0.77 GAK (0.52) GAKRIPK2COQ8ANLKEGFR
SCHEMBL2588265 0.74 GAK (0.76) GAKRIPK2COQ8ANLKEGFR

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-2566477-A1 AMINO-QUINOLINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-03-13 EP disclosed
WO-2011140442-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-11-10 WO disclosed