SCHEMBL5310236

SCHEMBL5310236

CONC(=O)c1cc(N(C)c2ccc3nc(Nc4cc(CN5CCOCC5)ccn4)sc3n2)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.50
CHEK1 O14757 1/20 0.40
KDR P35968 4/20 0.40
HCAR1 Q9BXC0 2/20 0.39
HCAR2 Q8TDS4 1/20 0.37
GHSR Q92847 1/20 0.37
SIK2 Q9H0K1 1/20 0.37
SIK3 Q9Y2K2 1/20 0.37
TNIK Q9UKE5 1/20 0.36
FGFR1 P11362 1/20 0.36
EPHB4 P54760 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 1/20 0.35
TYK2 P29597 1/20 0.35

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
SCHEMBL5311328 0.93 LCK (0.43) LCKKDRHCAR1HCAR2GHSR
SCHEMBL5311465 0.91 KDR (0.46) LCKKDRTBK1
SCHEMBL5315703 0.87 LCK (0.40) LCKKDRFGFR1EPHB4TYK2
SCHEMBL5312796 0.87 LCK (0.40) LCKKDR
SCHEMBL14531020 0.84 LCK (0.49) LCKCHEK1KDRSIK2SIK3
SCHEMBL5310105 0.83 KDR (0.46) LCKKDRTBK1
SCHEMBL14530838 0.81 KDR (0.48) LCKCHEK1KDRSIK2SIK3
SCHEMBL5312762 0.80 LCK (0.45) LCKCHEK1KDRTBK1
SCHEMBL5315162 0.79 KDR (0.51) LCKKDRTBK1
SCHEMBL5312683 0.79 LCK (0.39) LCKKDRFGFR1EPHB4TYK2

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