SCHEMBL4788641

SCHEMBL4788641

CNc1c(C(=O)Nc2cc(Nc3cccc(C(F)(F)F)c3C)ccc2C)cnc2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.49
MAPK14 Q16539 5/20 0.45
KDR P35968 3/20 0.45
ABL1 P00519 1/20 0.43
SRC P12931 1/20 0.43
DDR1 Q08345 1/20 0.43
DDR2 Q16832 1/20 0.43
BMX P51813 3/20 0.42
JAK3 P52333 2/20 0.41
BRAF P15056 4/20 0.40
CSF1R P07333 1/20 0.40
KIT P10721 1/20 0.40
MET P08581 1/20 0.40
PIKFYVE Q9Y2I7 1/20 0.40
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
RAF1 P04049 1/20 0.39
ARAF P10398 1/20 0.39
DHODH Q02127 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL4788647 0.91 LCK (0.46) LCKMAPK14KDRABL1SRC
SCHEMBL4788871 0.89 LCK (0.42) LCKMAPK14KDRABL1SRC
SCHEMBL4788852 0.86 BRAF (0.43) LCKMAPK14KDRABL1SRC
SCHEMBL4788889 0.86 BMX (0.53) LCKMAPK14KDRABL1SRC
SCHEMBL4788092 0.86 BRAF (0.53) LCKMAPK14KDRJAK3BRAF
SCHEMBL4789346 0.83 LCK (0.49) LCKMAPK14KDRJAK3BRAF
SCHEMBL4789713 0.83 BMX (0.41) MAPK14ABL1SRCDDR1DDR2
SCHEMBL4789707 0.82 BRAF (0.47) ABL1JAK3BRAFKMT2A
SCHEMBL4789786 0.82 EGFR (0.43) MAPK14ABL1SRCDDR1DDR2
SCHEMBL4788891 0.82 CSF1R (0.61) LCKMAPK14KDRABL1SRC

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