SCHEMBL5312823

SCHEMBL5312823

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.35
CSNK1D P48730 1/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 3/20 0.32
GPR52 Q9Y2T5 1/20 0.32
THRB P10828 1/20 0.32
HDAC3 O15379 5/20 0.32
HDAC4 P56524 5/20 0.32
HDAC1 Q13547 5/20 0.32
HDAC7 Q8WUI4 5/20 0.32
HDAC2 Q92769 5/20 0.32
HDAC10 Q969S8 5/20 0.32
HDAC11 Q96DB2 5/20 0.32
HDAC8 Q9BY41 5/20 0.32
HDAC6 Q9UBN7 5/20 0.32
HDAC9 Q9UKV0 5/20 0.32
HDAC5 Q9UQL6 5/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
KDR P35968 3/20 0.32
CSF1R P07333 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
SCHEMBL5311989 0.94 LCK (0.37) LCKCSNK1DMAPTGPR52IRAK4
SCHEMBL5314719 0.88 ALDH1A1 (0.35) LCKHPGDMAPTIRAK4KDR
SCHEMBL5312890 0.88 LCK (0.38) LCKCSNK1DMAPTIRAK4KDR
SCHEMBL5310797 0.86 LCK (0.35) LCKMAPTIRAK4KDRWNT3A
SCHEMBL5311529 0.86 LCK (0.39) LCKMAPTIRAK4KDRKDM4E
SCHEMBL14530871 0.86 LCK (0.39) LCKMAPTIRAK4KDRMEN1
SCHEMBL5312033 0.86 LCK (0.36) LCKIRAK4KDRKIT
SCHEMBL5312732 0.85 LCK (0.37) LCKIRAK4KDRMEN1KMT2A
SCHEMBL5312746 0.85 LCK (0.37) LCKMAPTIRAK4KDRKDM4E
SCHEMBL5310041 0.85 POLB (0.48) LCKHPGDKDRMEN1KMT2A

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 1 patent. 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