SCHEMBL4751695

SCHEMBL4751695

Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccc(-c3cccnc3)c2)s1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.82
MAPK14 Q16539 7/20 0.72
ABL1 P00519 2/20 0.61
MAPK13 O15264 2/20 0.61
EGFR P00533 2/20 0.61
FYN P06241 2/20 0.61
HCK P08631 2/20 0.61
SRC P12931 2/20 0.61
JAK3 P52333 2/20 0.61
MAPK12 P53778 2/20 0.61
MAPK11 Q15759 2/20 0.61
ERBB2 P04626 1/20 0.60
YES1 P07947 1/20 0.60
LYN P07948 1/20 0.60
FGR P09769 1/20 0.60
KIT P10721 1/20 0.60
BCR P11274 1/20 0.60

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
SCHEMBL4754942 0.92 MAPK14 (0.73) LCKMAPK14ABL1MAPK13EGFR
SCHEMBL773817 0.90 LCK (1.00) LCKMAPK14ABL1MAPK13EGFR
SCHEMBL20530782 0.87 LCK (0.82) LCKMAPK14ABL1MAPK13EGFR
SCHEMBL773705 0.85 MAPK14 (0.82) LCKMAPK14ABL1MAPK13EGFR
SCHEMBL30608761 0.84 LCK (0.73) LCKMAPK14ABL1MAPK13EGFR
SCHEMBL29074216 0.84 LCK (0.73) LCKMAPK14ABL1MAPK13EGFR
SCHEMBL773145 0.84 LCK (1.00) LCKMAPK14ABL1MAPK13EGFR
SCHEMBL774701 0.84 MAPK14 (1.00) LCKMAPK14ABL1MAPK13EGFR
SCHEMBL13982223 0.84 LCK (0.74) LCKMAPK14ABL1MAPK13EGFR
SCHEMBL775159 0.84 MAPK14 (0.79) LCKMAPK14ABL1MAPK13EGFR

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
WO-2008150446-A1 INHIBITORS OF PROTEIN KINASES LIANG CONGXIN (US) 2008-12-11 WO disclosed
WO-2008150446-A1 INHIBITORS OF PROTEIN KINASES LIANG CONGXIN (US) 2008-12-11 WO disclosed