SCHEMBL6676532

SCHEMBL6676532

Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(/N=N/CCn3ccnn3)ncn2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.59
MAPK14 Q16539 7/20 0.54
ABL1 P00519 5/20 0.54
SRC P12931 4/20 0.54
EGFR P00533 3/20 0.54
FYN P06241 3/20 0.54
YES1 P07947 3/20 0.54
LYN P07948 3/20 0.54
HCK P08631 3/20 0.54
KIT P10721 3/20 0.54
BCR P11274 3/20 0.54
MAPK13 O15264 2/20 0.54
ERBB2 P04626 2/20 0.54
FGR P09769 2/20 0.54
JAK3 P52333 2/20 0.54
MAPK12 P53778 2/20 0.54
MAPK11 Q15759 2/20 0.54
DDR1 Q08345 3/20 0.52
DDR2 Q16832 3/20 0.52
EPHB6 O15197 2/20 0.50

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
SCHEMBL6676534 1.00 LCK (0.59) LCKMAPK14ABL1SRCEGFR
SCHEMBL774454 0.88 LCK (0.61) LCKMAPK14ABL1SRCEGFR
SCHEMBL772915 0.81 LCK (0.74) LCKMAPK14ABL1SRCEGFR
SCHEMBL14569092 0.79 LCK (0.70) LCKMAPK14ABL1SRCEGFR
SCHEMBL14569074 0.79 LCK (0.75) LCKMAPK14ABL1SRCEGFR
SCHEMBL771868 0.77 LCK (0.70) LCKMAPK14ABL1SRCEGFR
SCHEMBL1540977 0.77 LCK (0.70) LCKMAPK14ABL1SRCEGFR
SCHEMBL15891879 0.76 LCK (0.68) LCKMAPK14ABL1SRCEGFR
SCHEMBL19390257 0.76 LCK (0.82) LCKMAPK14ABL1SRCEGFR
SCHEMBL774203 0.75 LCK (0.67) LCKMAPK14ABL1SRCEGFR

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