SCHEMBL4789248

SCHEMBL4789248

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cnc2[nH]ccc2c1NCCN1CCN(C)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCK P06239 8/20 0.57
MAPK14 Q16539 4/20 0.57
KDR P35968 5/20 0.54
LYN P07948 3/20 0.54
SRC P12931 3/20 0.54
INSR P06213 2/20 0.54
HCK P08631 2/20 0.54
CSF1R P07333 7/20 0.53
KIT P10721 6/20 0.53
BRAF P15056 5/20 0.52
EGFR P00533 1/20 0.52
ABL1 P00519 1/20 0.50
FYN P06241 1/20 0.50
MAPK9 P45984 1/20 0.50
TEK Q02763 1/20 0.50
RAF1 P04049 1/20 0.50
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
PIKFYVE Q9Y2I7 1/20 0.49

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 0.95 LCK (0.58) LCKMAPK14KDRSRCCSF1R
SCHEMBL4789582 0.94 LCK (0.57) LCKMAPK14KDRSRCCSF1R
SCHEMBL4789239 0.93 LCK (0.68) LCKMAPK14KDRSRCCSF1R
SCHEMBL4789243 0.92 LCK (0.49) LCKMAPK14KDRLYNSRC
SCHEMBL4789731 0.89 CSF1R (0.56) LCKMAPK14KDRLYNSRC
SCHEMBL4787608 0.89 CSF1R (0.57) LCKMAPK14KDRSRCCSF1R
SCHEMBL4788653 0.87 CSF1R (0.55) LCKMAPK14KDRSRCCSF1R
SCHEMBL4790220 0.87 LCK (0.62) LCKMAPK14KDRSRCCSF1R
SCHEMBL4789176 0.87 LCK (0.50) LCKMAPK14KDRLYNSRC
SCHEMBL4789221 0.87 CSF1R (0.55) LCKMAPK14KDRSRCCSF1R

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