SCHEMBL5607882

SCHEMBL5607882

Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(CNC(=O)C3CCNCC3)ncn2)s1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 16/20 0.61
MAPK14 Q16539 7/20 0.61
SRC P12931 3/20 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
JAK3 P52333 2/20 0.61
MAPK12 P53778 2/20 0.61
MAPK11 Q15759 2/20 0.61
ABL1 P00519 2/20 0.58
ERBB2 P04626 1/20 0.56
YES1 P07947 1/20 0.56
LYN P07948 1/20 0.56
FGR P09769 1/20 0.56
KIT P10721 1/20 0.56
BCR P11274 1/20 0.56

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
SCHEMBL772670 0.85 LCK (0.60) LCKMAPK14SRCMAPK13EGFR
SCHEMBL1540977 0.84 LCK (0.70) LCKMAPK14SRCMAPK13EGFR
SCHEMBL771868 0.84 LCK (0.70) LCKMAPK14SRCMAPK13EGFR
SCHEMBL14569092 0.84 LCK (0.70) LCKMAPK14SRCMAPK13EGFR
SCHEMBL3720431 0.83 SRC (0.74) LCKMAPK14SRCMAPK13EGFR
SCHEMBL15891879 0.83 LCK (0.68) LCKMAPK14SRCMAPK13EGFR
SCHEMBL774367 0.83 LCK (0.61) LCKMAPK14SRCMAPK13EGFR
SCHEMBL774203 0.82 LCK (0.67) LCKMAPK14SRCMAPK13EGFR
SCHEMBL773039 0.81 LCK (0.61) LCKMAPK14SRCMAPK13EGFR
SCHEMBL14569074 0.80 LCK (0.75) LCKMAPK14SRCMAPK13EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758564-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER Brystol-Myers Squibb Company (US) 2007-03-07 EP claimed
WO-2005094376-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-13 WO claimed
EP-1758564-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER Brystol-Myers Squibb Company (US) 2007-03-07 EP disclosed
WO-2005094376-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-13 WO disclosed