SCHEMBL3830666

SCHEMBL3830666

CCc1c2cnc(NCCCN3CCOCC3)nc2nc(=O)n1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.57
MAPK14 Q16539 4/20 0.57
KDR P35968 3/20 0.49
JAK3 P52333 2/20 0.46
SRC P12931 1/20 0.46
TYK2 P29597 1/20 0.46
SYK P43405 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
BTK Q06187 1/20 0.46
CSF1R P07333 1/20 0.45
DAPK1 P53355 1/20 0.45
BRAF P15056 10/20 0.45
EPHX2 P34913 1/20 0.44
RAF1 P04049 5/20 0.44
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR4 P22455 1/20 0.43
FGFR3 P22607 1/20 0.43

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
SCHEMBL3832068 0.90 LCK (0.49) LCKMAPK14KDRJAK3SRC
SCHEMBL3825076 0.88 LCK (0.49) LCKMAPK14KDRJAK3SRC
SCHEMBL3825126 0.87 BTK (0.49) LCKBTKCSF1RDAPK1BRAF
SCHEMBL3829466 0.87 CSF1R (0.61) LCKMAPK14KDRJAK3SRC
SCHEMBL3827768 0.87 LCK (0.44) LCKMAPK14KDRSRCBTK
SCHEMBL3829372 0.87 LCK (0.47) LCKMAPK14KDRJAK3SRC
SCHEMBL3828976 0.86 LCK (0.43) LCKMAPK14KDRSRCBTK
SCHEMBL3825108 0.86 CSF1R (0.52) LCKMAPK14KDRJAK3SRC
SCHEMBL3830709 0.85 CSF1R (0.58) LCKMAPK14KDRJAK3SRC
SCHEMBL3828846 0.84 BTK (0.44) LCKBTKCSF1RDAPK1BRAF

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-1651648-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-09-02 EP claimed
JP-2007500725-A 2007-01-18 JP claimed
EP-1651648-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-03 EP claimed
WO-2005011597-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-02-10 WO claimed