SCHEMBL5312031

SCHEMBL5312031

Cc1ccc(N(C)c2ccc3nc(Nc4cc(CC(=O)N5CCCCC5)ccn4)sc3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ECE2 P0DPD6 1/20 0.41
MAP3K12 Q12852 1/20 0.36
POLB P06746 1/20 0.36
KDR P35968 3/20 0.36
LCK P06239 4/20 0.36
TBK1 Q9UHD2 8/20 0.35
CCNT1 O60563 2/20 0.35
FLT3 P36888 2/20 0.35
CDK9 P50750 2/20 0.35
IKBKE Q14164 2/20 0.35
RPS6KA6 Q9UK32 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
STK17A Q9UEE5 1/20 0.34
MAPK14 Q16539 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
SCHEMBL5312193 0.99 ECE2 (0.42) ECE2MAP3K12POLBKDRLCK
SCHEMBL5309897 0.93 KDR (0.41) ECE2KDRLCKTBK1CCNT1
SCHEMBL5313527 0.93 KDR (0.37) ECE2KDRLCKTBK1CCNT1
SCHEMBL5309726 0.93 KDR (0.36) ECE2KDRLCKTBK1CCNT1
SCHEMBL5309998 0.92 LCK (0.41) ECE2KDRLCKTBK1
SCHEMBL5329362 0.92 KDR (0.40) KDRLCKTBK1CCNT1FLT3
SCHEMBL5314105 0.91 KDR (0.38) ECE2KDRLCKTBK1CCNT1
SCHEMBL5329616 0.90 KDR (0.35) ECE2MAP3K12KDRLCKTBK1
SCHEMBL5328587 0.88 MAP3K12 (0.37) MAP3K12KDRLCKTBK1
SCHEMBL5328608 0.88 MAP3K12 (0.37) MAP3K12KDRLCKTBK1

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