SCHEMBL3830709

SCHEMBL3830709

COc1cc(NC(=O)c2cccc(C(F)(F)F)c2)cc(-n2c(CCN3CCOCC3)c3cnc(Nc4ccc(N5CCOCC5)cc4)nc3nc2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 6/20 0.58
DAPK1 P53355 3/20 0.58
LCK P06239 6/20 0.49
MAPK14 Q16539 5/20 0.49
KDR P35968 3/20 0.49
SRC P12931 3/20 0.49
TEK Q02763 2/20 0.49
ABL1 P00519 1/20 0.49
FYN P06241 1/20 0.49
LYN P07948 1/20 0.49
MAPK9 P45984 1/20 0.49
RAF1 P04049 6/20 0.48
BRAF P15056 6/20 0.48
TNK2 Q07912 1/20 0.46
MAP4K2 Q12851 1/20 0.46
JAK3 P52333 1/20 0.46
JAK2 O60674 3/20 0.45
JAK1 P23458 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
SCHEMBL3825108 0.95 CSF1R (0.52) CSF1RDAPK1LCKMAPK14KDR
SCHEMBL3829466 0.93 CSF1R (0.61) CSF1RDAPK1LCKMAPK14KDR
SCHEMBL3825076 0.92 LCK (0.49) CSF1RDAPK1LCKMAPK14KDR
SCHEMBL3832068 0.91 LCK (0.49) CSF1RDAPK1LCKMAPK14KDR
SCHEMBL3825410 0.90 CSF1R (0.47) CSF1RDAPK1LCKMAPK14KDR
SCHEMBL3829372 0.89 LCK (0.47) CSF1RDAPK1LCKMAPK14KDR
SCHEMBL3830666 0.85 LCK (0.57) CSF1RDAPK1LCKMAPK14KDR
SCHEMBL3825451 0.81 BTK (0.51) CSF1RDAPK1LCKMAPK14KDR
SCHEMBL3136129 0.81 CSF1R (0.60) CSF1RDAPK1LCKMAPK14KDR
SCHEMBL3827876 0.80 RAF1 (0.48) CSF1RDAPK1MAPK14RAF1BRAF

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 7 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
EP-1651648-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-09-02 EP disclosed
EP-1651648-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-03 EP disclosed
WO-2005011597-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-02-10 WO disclosed