SCHEMBL5335191

SCHEMBL5335191

CNc1cc(-c2ccc(F)cc2F)c2nc(Nc3cc(NCCCN4CCN(C)CC4)ncn3)sc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.39
FGFR1 P11362 5/20 0.37
KDR P35968 5/20 0.37
MERTK Q12866 3/20 0.36
MET P08581 2/20 0.36
MAP3K8 P41279 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
EGFR P00533 5/20 0.36
SRC P12931 2/20 0.36
CCNT1 O60563 1/20 0.35
AURKA O14965 3/20 0.34
PDGFRB P09619 3/20 0.34
TEK Q02763 3/20 0.34
AURKB Q96GD4 3/20 0.34
ERBB2 P04626 2/20 0.34
FLT4 P35916 2/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
SLC34A1 Q06495 1/20 0.34

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
SCHEMBL5315878 0.87 ABL1 (0.46) ABL1BCREGFRCCNT1
SCHEMBL5334782 0.82 MERTK (0.43) KDRMERTKMET
SCHEMBL5311867 0.82 MERTK (0.45) MERTKMET
SCHEMBL5313556 0.75 MERTK (0.38) KDRMERTKMET
SCHEMBL5314023 0.74 KDR (0.47) KDRMERTKMETEGFR
SCHEMBL5315261 0.74 BDKRB1 (0.37) KDRMERTKMETEGFRCCNT1
SCHEMBL5313507 0.74 DYRK2 (0.45) KDRMERTKMETSRC
SCHEMBL5311883 0.72 TNIK (0.45) KDRMERTK
SCHEMBL5333764 0.72 TNIK (0.41) KDRMERTK
SCHEMBL5314922 0.71 PDE1B (0.35) MERTKMETCCNT1

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-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO claimed
WO-2007023281-A2 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2007-03-01 WO disclosed