SCHEMBL5333643

SCHEMBL5333643

CNc1cc(-c2ccc(Cl)cc2F)c2nc(Nc3cc(CN4CCOCC4)ccn3)sc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.46
LCK P06239 3/20 0.43
EGFR P00533 1/20 0.40
CHEK1 O14757 1/20 0.39
TNIK Q9UKE5 1/20 0.37
SIK2 Q9H0K1 1/20 0.37
SIK3 Q9Y2K2 1/20 0.37
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
SLC2A1 P11166 1/20 0.36
ADORA2A P29274 1/20 0.35
CHRM4 P08173 1/20 0.35
GRM2 Q14416 1/20 0.35
AURKA O14965 1/20 0.35
LIMK1 P53667 1/20 0.35
LIMK2 P53671 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 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
SCHEMBL5314023 0.92 KDR (0.47) KDRLCKEGFRCHEK1SIK2
SCHEMBL5313556 0.91 MERTK (0.38) KDRLCKGRM2
SCHEMBL5312577 0.89 KDR (0.49) KDRLCKEGFRCHEK1TNIK
SCHEMBL5310432 0.85 KDR (0.49) KDRLCKEGFRCHEK1SIK2
SCHEMBL5334782 0.83 MERTK (0.43) KDR
SCHEMBL5315261 0.81 BDKRB1 (0.37) KDREGFRJAK2JAK1TYK2
SCHEMBL5329735 0.80 TNIK (0.41) KDRLCKTNIK
SCHEMBL5333804 0.77 DRD4 (0.40) KDR
SCHEMBL5333764 0.77 TNIK (0.41) KDRTNIKGRM2
SCHEMBL5312320 0.76 KDR (0.49) KDRCHEK1GRM2

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