SCHEMBL5312042

SCHEMBL5312042

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
KDR P35968 2/20 0.37
LCK P06239 7/20 0.35
MAPT P10636 2/20 0.35
EPHX1 P07099 1/20 0.35
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
MCHR1 Q99705 2/20 0.33
ITK Q08881 4/20 0.33
AURKB Q96GD4 4/20 0.33
NAMPT P43490 1/20 0.32

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
SCHEMBL5312732 0.90 LCK (0.37) RAB9AKDRLCKNPC1MEN1
SCHEMBL5312806 0.85 LCK (0.39) LCKMAPTNPC1PKMMEN1
SCHEMBL5312751 0.84 KDR (0.44) KDRLCK
SCHEMBL5312953 0.83 LCK (0.36) KDRLCKIRAK4BRAF
SCHEMBL5309710 0.83 ALDH1A1 (0.37) KDRLCKMAPTMEN1KMT2A
SCHEMBL5310589 0.83 LCK (0.38) RAB9AKDRLCKMAPTNPC1
SCHEMBL5310123 0.83 LCK (0.35) KDRLCKMAPTIRAK4AURKB
SCHEMBL5311529 0.83 LCK (0.39) RAB9AKDRLCKMAPTIRAK4
SCHEMBL14530871 0.83 LCK (0.39) KDRLCKMAPTMEN1KMT2A
SCHEMBL5316887 0.82 LCK (0.38) KDRLCKMAPTIRAK4KIT

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