SCHEMBL5333804

SCHEMBL5333804

CNc1cc(-c2ccc(F)cc2)c2nc(Nc3cc(CN4CCN(c5ccc(F)cc5)CC4)ccn3)sc2n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
TBK1 Q9UHD2 4/20 0.40
KDR P35968 9/20 0.40
POLB P06746 1/20 0.39
GSK3B P49841 1/20 0.37
MAPK13 O15264 2/20 0.37
MAPK8 P45983 2/20 0.37
MAPK12 P53778 2/20 0.37
MAPK10 P53779 2/20 0.37
MAPK11 Q15759 2/20 0.37
MAPK14 Q16539 2/20 0.37

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
SCHEMBL5333764 0.92 TNIK (0.41) TBK1KDR
SCHEMBL5310432 0.91 KDR (0.49) KDRMAPK13MAPK8MAPK12MAPK10
SCHEMBL5312320 0.89 KDR (0.49) TBK1KDR
SCHEMBL5329735 0.83 TNIK (0.41) TBK1KDR
SCHEMBL5312577 0.83 KDR (0.49) KDR
SCHEMBL5334782 0.82 MERTK (0.43) KDR
SCHEMBL5314023 0.81 KDR (0.47) KDRMAPK14
SCHEMBL5311883 0.80 TNIK (0.45) KDR
SCHEMBL5315552 0.79 BDKRB1 (0.40) TBK1KDR
SCHEMBL5313556 0.77 MERTK (0.38) KDR

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-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed