SCHEMBL4789239

SCHEMBL4789239

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cnc2[nH]ccc2c1NCCN1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.68
MAPK14 Q16539 3/20 0.68
KDR P35968 3/20 0.62
CSF1R P07333 4/20 0.52
KIT P10721 3/20 0.52
SRC P12931 1/20 0.52
TYK2 P29597 1/20 0.52
SYK P43405 1/20 0.52
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52
JAK3 P52333 1/20 0.52
MAPK10 P53779 1/20 0.52
BTK Q06187 1/20 0.52
BRAF P15056 11/20 0.49
RAF1 P04049 4/20 0.49
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
PIKFYVE Q9Y2I7 1/20 0.48

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
SCHEMBL4789178 0.94 LCK (0.58) LCKMAPK14KDRCSF1RKIT
SCHEMBL4789248 0.93 LCK (0.57) LCKMAPK14KDRCSF1RKIT
SCHEMBL4789582 0.93 LCK (0.57) LCKMAPK14KDRCSF1RKIT
SCHEMBL4789238 0.92 LCK (0.58) LCKMAPK14KDRSRCTYK2
SCHEMBL4789349 0.89 LCK (0.52) LCKMAPK14KDRJAK3BRAF
SCHEMBL4787608 0.87 CSF1R (0.57) LCKMAPK14KDRCSF1RKIT
SCHEMBL4788653 0.86 CSF1R (0.55) LCKMAPK14KDRCSF1RKIT
SCHEMBL4790220 0.86 LCK (0.62) LCKMAPK14KDRCSF1RKIT
SCHEMBL4789176 0.86 LCK (0.50) LCKMAPK14KDRCSF1RKIT
SCHEMBL4788545 0.85 CSF1R (0.51) LCKMAPK14KDRCSF1RSRC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 WO claimed
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 WO disclosed