SCHEMBL3825076

SCHEMBL3825076

CNc1ncc2c(CCN3CCOCC3)n(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)cc(OC)c3)c(=O)nc2n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.49
MAPK14 Q16539 3/20 0.49
CSF1R P07333 1/20 0.47
DAPK1 P53355 1/20 0.47
KDR P35968 2/20 0.46
BRAF P15056 11/20 0.45
RAF1 P04049 10/20 0.45
HTR2A P28223 1/20 0.44
KCNH2 Q12809 1/20 0.44
EPHX2 P34913 1/20 0.43
SRC P12931 1/20 0.42
TYK2 P29597 1/20 0.42
SYK P43405 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
JAK3 P52333 1/20 0.42
MAPK10 P53779 1/20 0.42
BTK Q06187 1/20 0.42
SCD O00767 1/20 0.42

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 0.94 LCK (0.49) LCKMAPK14CSF1RDAPK1KDR
SCHEMBL3825108 0.93 CSF1R (0.52) LCKMAPK14CSF1RDAPK1KDR
SCHEMBL3830709 0.92 CSF1R (0.58) LCKMAPK14CSF1RDAPK1KDR
SCHEMBL3829372 0.92 LCK (0.47) LCKMAPK14CSF1RDAPK1KDR
SCHEMBL3825410 0.90 CSF1R (0.47) LCKMAPK14CSF1RDAPK1KDR
SCHEMBL3830666 0.88 LCK (0.57) LCKMAPK14CSF1RDAPK1KDR
SCHEMBL3824942 0.86 LCK (0.57) LCKMAPK14KDRBRAFRAF1
SCHEMBL3829466 0.84 CSF1R (0.61) LCKMAPK14CSF1RDAPK1KDR
SCHEMBL3825185 0.84 LCK (0.44) LCKMAPK14CSF1RDAPK1KDR
SCHEMBL3827876 0.84 RAF1 (0.48) MAPK14CSF1RDAPK1BRAFRAF1

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