SCHEMBL5311328

SCHEMBL5311328

CONC(=O)c1cc(N(C)c2ccc3nc(Nc4cc(CN5CCN(C)CC5)ccn4)sc3n2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.43
HCAR1 Q9BXC0 8/20 0.39
KDR P35968 6/20 0.39
GHSR Q92847 3/20 0.38
HCAR2 Q8TDS4 1/20 0.38
TBK1 Q9UHD2 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
SCHEMBL5311465 0.93 KDR (0.46) LCKKDRTBK1
SCHEMBL5310236 0.93 LCK (0.50) LCKHCAR1KDRGHSRHCAR2
SCHEMBL5315703 0.88 LCK (0.40) LCKKDR
SCHEMBL5312796 0.88 LCK (0.40) LCKKDR
SCHEMBL5312762 0.88 LCK (0.45) LCKKDRTBK1
SCHEMBL5310105 0.85 KDR (0.46) LCKKDRTBK1
SCHEMBL14530647 0.82 KDR (0.41) LCKKDRTBK1
SCHEMBL5315162 0.81 KDR (0.51) LCKKDRTBK1
SCHEMBL5312683 0.80 LCK (0.39) LCKKDR
SCHEMBL5334772 0.79 KDR (0.55) LCKKDRTBK1

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