SCHEMBL3829466

SCHEMBL3829466

CCc1c2cnc(Nc3ccc(N4CCOCC4)cc3)nc2nc(=O)n1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 6/20 0.61
DAPK1 P53355 3/20 0.61
RAF1 P04049 11/20 0.51
BRAF P15056 11/20 0.51
LCK P06239 4/20 0.49
KDR P35968 3/20 0.49
MAPK14 Q16539 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
SRC P12931 1/20 0.49
MAPK9 P45984 1/20 0.49
TNK2 Q07912 1/20 0.46
MAP4K2 Q12851 1/20 0.46
JAK3 P52333 1/20 0.46

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
SCHEMBL3830709 0.93 CSF1R (0.58) CSF1RDAPK1RAF1BRAFLCK
SCHEMBL3825451 0.88 BTK (0.51) CSF1RDAPK1LCKKDRMAPK14
SCHEMBL3825108 0.88 CSF1R (0.52) CSF1RDAPK1RAF1BRAFLCK
SCHEMBL3827876 0.87 RAF1 (0.48) CSF1RDAPK1RAF1BRAFMAPK14
SCHEMBL3830666 0.87 LCK (0.57) CSF1RDAPK1RAF1BRAFLCK
SCHEMBL3825040 0.87 BTK (0.49) CSF1RDAPK1BRAFLCKABL1
SCHEMBL3825126 0.86 BTK (0.49) CSF1RDAPK1RAF1BRAFLCK
SCHEMBL3830993 0.85 BTK (0.49) CSF1RDAPK1LCKJAK3
SCHEMBL3830881 0.85 BTK (0.49) CSF1RDAPK1RAF1BRAFLCK
SCHEMBL3825146 0.85 BTK (0.44) CSF1RDAPK1RAF1BRAFLCK

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-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