SCHEMBL5312732

SCHEMBL5312732

Cc1ccc(N(C)c2ccc3nc(Nc4cc(CC(=O)NC5CC5)ccn4)sc3n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.37
KDR P35968 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
GRIN2B Q13224 1/20 0.34
ITK Q08881 3/20 0.34
AURKB Q96GD4 3/20 0.34
SYK P43405 1/20 0.34
BTK Q06187 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL5312890 0.90 LCK (0.38) LCKKDRMEN1KMT2AIRAK4
SCHEMBL5312042 0.90 HPGD (0.39) LCKKDRMEN1KMT2AITK
SCHEMBL5311529 0.88 LCK (0.39) LCKKDRIRAK4RAB9AALDH1A1
SCHEMBL14530871 0.88 LCK (0.39) LCKKDRMEN1KMT2ASYK
SCHEMBL5311989 0.87 LCK (0.37) LCKKDRMEN1KMT2AIRAK4
SCHEMBL5312751 0.86 KDR (0.44) LCKKDR
SCHEMBL5313272 0.85 LCK (0.38) LCKKDRMEN1KMT2ASYK
SCHEMBL5312823 0.85 LCK (0.35) LCKKDRMEN1KMT2AIRAK4
SCHEMBL5312193 0.85 ECE2 (0.42) LCKKDRIRAK4
SCHEMBL5311490 0.84 ITK (0.38) LCKITKSYKBTK

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