SCHEMBL20530779

SCHEMBL20530779

Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccc(C(=O)Nc3cccc(N)c3)c2)s1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.69
LCK P06239 16/20 0.65
MAPK13 O15264 3/20 0.59
MAPK12 P53778 3/20 0.59
MAPK11 Q15759 3/20 0.59
EGFR P00533 2/20 0.59
FYN P06241 2/20 0.59
HCK P08631 2/20 0.59
SRC P12931 2/20 0.59
JAK3 P52333 2/20 0.59
ABL1 P00519 1/20 0.58
ERBB2 P04626 1/20 0.58
YES1 P07947 1/20 0.58
LYN P07948 1/20 0.58
FGR P09769 1/20 0.58
KIT P10721 1/20 0.58
BCR P11274 1/20 0.58

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
SCHEMBL775448 0.94 MAPK14 (0.79) MAPK14LCKMAPK13MAPK12MAPK11
SCHEMBL20530771 0.88 LCK (0.80) MAPK14LCKMAPK13MAPK12MAPK11
SCHEMBL20530743 0.88 MAPK14 (0.76) MAPK14LCKMAPK13MAPK12MAPK11
SCHEMBL20530782 0.88 LCK (0.82) MAPK14LCKMAPK13MAPK12MAPK11
SCHEMBL774121 0.87 MAPK14 (0.66) MAPK14LCKMAPK13MAPK12MAPK11
SCHEMBL20530749 0.86 MAPK14 (0.69) MAPK14LCKMAPK13MAPK12MAPK11
SCHEMBL20530747 0.85 MAPK14 (0.64) MAPK14LCKMAPK13MAPK12MAPK11
SCHEMBL773705 0.84 MAPK14 (0.82) MAPK14LCKMAPK13MAPK12MAPK11
SCHEMBL20530741 0.83 MAPK14 (0.71) MAPK14LCKMAPK13MAPK12MAPK11
SCHEMBL20530753 0.83 MAPK14 (0.65) MAPK14LCKMAPK13MAPK12MAPK11

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-3388430-A1 COMPOUND, COMPOUND FOR USE IN THE TREATMENT OF A PATHOLOGICAL CONDITION, A PHARMACEUTICAL COMPOSITION AND A METHOD FOR PREPARING SAID COMPOUND Technische Universität München (DE) 2018-10-17 EP disclosed