SCHEMBL6605854

SCHEMBL6605854

Cc1cccc(C)c1NC(=O)c1cnc(OC(N)=O)s1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.53
MAPK14 Q16539 7/20 0.51
MAPK13 O15264 1/20 0.48
EGFR P00533 1/20 0.48
FYN P06241 1/20 0.48
HCK P08631 1/20 0.48
SRC P12931 1/20 0.48
JAK3 P52333 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL1539959 0.80 LCK (0.58) LCKMAPK14MAPK13EGFRFYN
SCHEMBL17571955 0.79 LCK (0.61) LCKMAPK14MAPK13EGFRFYN
SCHEMBL31052681 0.78 LCK (0.60) LCKMAPK14MAPK13EGFRFYN
SCHEMBL6603764 0.77 LCK (0.56) LCK
SCHEMBL1540066 0.76 LCK (0.68) LCKMAPK14MAPK13EGFRFYN
SCHEMBL774476 0.74 MAPK14 (0.84) LCKMAPK14MAPK13EGFRFYN
SCHEMBL774121 0.72 MAPK14 (0.66) LCKMAPK14MAPK13EGFRFYN
SCHEMBL774143 0.72 LCK (0.72) LCKMAPK14MAPK13EGFRFYN
SCHEMBL29616014 0.72 MAPK14 (0.67) LCKMAPK14MAPK13EGFRFYN
SCHEMBL1540030 0.72 MAPK14 (0.67) LCKMAPK14MAPK13EGFRFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169038-A4 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP disclosed
EP-1169038-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-09 EP disclosed
WO-2000062778-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB CO. (US) 2000-10-26 WO disclosed