SCHEMBL5312890

SCHEMBL5312890

CNC(=O)Cc1ccnc(Nc2nc3ccc(N(C)c4ccc(C)cc4)nc3s2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
BRAF P15056 2/20 0.35
RAF1 P04049 1/20 0.35
CSNK1D P48730 1/20 0.34
WNT3A P56704 3/20 0.34
KDR P35968 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
RIOK2 Q9BVS4 2/20 0.33
MAPK8 P45983 1/20 0.33
GSK3A P49840 1/20 0.33
MAPK10 P53779 1/20 0.33
HIPK1 Q86Z02 1/20 0.33
SNRK Q9NRH2 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL14530871 0.91 LCK (0.39) LCKIRAK4BRAFKDRMAPT
SCHEMBL5311529 0.91 LCK (0.39) LCKIRAK4BRAFRAF1KDR
SCHEMBL5312732 0.90 LCK (0.37) LCKIRAK4KDRMEN1NPC1
SCHEMBL5311989 0.90 LCK (0.37) LCKIRAK4CSNK1DWNT3AKDR
SCHEMBL5313272 0.88 LCK (0.38) LCKIRAK4BRAFRAF1KDR
SCHEMBL5312823 0.88 LCK (0.35) LCKIRAK4CSNK1DWNT3AKDR
SCHEMBL5316887 0.87 LCK (0.38) LCKIRAK4BRAFKDRMAPT
SCHEMBL5312821 0.87 LCK (0.35) LCKIRAK4BRAFCSNK1DWNT3A
SCHEMBL5314719 0.87 ALDH1A1 (0.35) LCKIRAK4KDRMAPTMEN1
SCHEMBL5312746 0.86 LCK (0.37) LCKIRAK4BRAFRAF1KDR

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