SCHEMBL5314719

SCHEMBL5314719

CCN(CC)CCNC(=O)Cc1ccnc(Nc2nc3ccc(N(C)c4ccc(C)cc4)nc3s2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
FLT3 P36888 1/20 0.35
SYK P43405 1/20 0.35
LCK P06239 3/20 0.35
NPBWR1 P48145 1/20 0.34
ATM Q13315 1/20 0.34
MCHR1 Q99705 1/20 0.34
IGF1R P08069 2/20 0.34
GLS O94925 1/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
KDR P35968 2/20 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
SCHEMBL5311989 0.91 LCK (0.37) ALDH1A1LCKKDM4EMEN1KMT2A
SCHEMBL5312823 0.88 LCK (0.35) ALDH1A1LCKKDM4EHPGDMEN1
SCHEMBL5312890 0.87 LCK (0.38) ALDH1A1LCKKDM4EMEN1KMT2A
SCHEMBL5310797 0.86 LCK (0.35) ALDH1A1LCKTSHRMEN1KMT2A
SCHEMBL5311529 0.85 LCK (0.39) ALDH1A1LCKKDM4EMAPTKDR
SCHEMBL14530871 0.85 LCK (0.39) ALDH1A1SYKLCKKDM4EMEN1
SCHEMBL5313300 0.84 LCK (0.38) LCKTSHRKDRIRAK4
SCHEMBL5312732 0.84 LCK (0.37) ALDH1A1SYKLCKMEN1KMT2A
SCHEMBL5313272 0.84 LCK (0.38) ALDH1A1SMN1; SMN2SYKLCKKDM4E
SCHEMBL5310041 0.84 POLB (0.48) ALDH1A1SMN1; SMN2LCKKDM4EHPGD

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