SCHEMBL3829372

SCHEMBL3829372

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.47
MAPK14 Q16539 3/20 0.47
KDR P35968 2/20 0.46
CSF1R P07333 1/20 0.44
DAPK1 P53355 1/20 0.44
BRAF P15056 12/20 0.43
RAF1 P04049 11/20 0.43
SRC P12931 1/20 0.43
TYK2 P29597 1/20 0.43
SYK P43405 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
JAK3 P52333 1/20 0.43
MAPK10 P53779 1/20 0.43
BTK Q06187 1/20 0.43
HTR2A P28223 1/20 0.42
KCNH2 Q12809 1/20 0.42
EPHX2 P34913 1/20 0.40

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 0.93 LCK (0.49) LCKMAPK14KDRCSF1RDAPK1
SCHEMBL3825076 0.92 LCK (0.49) LCKMAPK14KDRCSF1RDAPK1
SCHEMBL3825108 0.90 CSF1R (0.52) LCKMAPK14KDRCSF1RDAPK1
SCHEMBL3830709 0.89 CSF1R (0.58) LCKMAPK14KDRCSF1RDAPK1
SCHEMBL3828846 0.88 BTK (0.44) LCKCSF1RDAPK1BRAFRAF1
SCHEMBL3830666 0.87 LCK (0.57) LCKMAPK14KDRCSF1RDAPK1
SCHEMBL3825410 0.87 CSF1R (0.47) LCKMAPK14KDRCSF1RDAPK1
SCHEMBL3829466 0.81 CSF1R (0.61) LCKMAPK14KDRCSF1RDAPK1
SCHEMBL3134068 0.81 LCK (0.48) LCKMAPK14KDRCSF1RDAPK1
SCHEMBL3825126 0.81 BTK (0.49) LCKCSF1RDAPK1BRAFRAF1

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