SCHEMBL4789582

SCHEMBL4789582

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cnc2[nH]ccc2c1NCCN1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.57
MAPK14 Q16539 3/20 0.57
KDR P35968 2/20 0.53
CSF1R P07333 4/20 0.53
KIT P10721 3/20 0.53
BRAF P15056 9/20 0.51
RAF1 P04049 1/20 0.50
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
PIKFYVE Q9Y2I7 1/20 0.49
BMX P51813 1/20 0.49
BTK Q06187 1/20 0.49
ABL1 P00519 1/20 0.48
SRC P12931 1/20 0.48
DDR1 Q08345 1/20 0.48
DDR2 Q16832 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 0.99 LCK (0.58) LCKMAPK14KDRCSF1RKIT
SCHEMBL4789248 0.94 LCK (0.57) LCKMAPK14KDRCSF1RKIT
SCHEMBL4789239 0.93 LCK (0.68) LCKMAPK14KDRCSF1RKIT
SCHEMBL4789581 0.92 LCK (0.49) LCKMAPK14KDRCSF1RKIT
SCHEMBL4789176 0.91 LCK (0.50) LCKMAPK14KDRCSF1RKIT
SCHEMBL4787608 0.89 CSF1R (0.57) LCKMAPK14KDRCSF1RKIT
SCHEMBL4788653 0.87 CSF1R (0.55) LCKMAPK14KDRCSF1RKIT
SCHEMBL4790220 0.87 LCK (0.62) LCKMAPK14KDRCSF1RKIT
SCHEMBL4789221 0.87 CSF1R (0.55) LCKMAPK14KDRCSF1RKIT
SCHEMBL4789271 0.87 CSF1R (0.57) LCKMAPK14KDRCSF1RKIT

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 1 patent. 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