SCHEMBL5313606

SCHEMBL5313606

Cc1ccc(N(C)c2ccc3nc(Nc4cc(CN5CCN(C(=O)CO)CC5)ccn4)sc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.53
TBK1 Q9UHD2 12/20 0.43
CCNT1 O60563 4/20 0.43
CDK9 P50750 4/20 0.43
IKBKE Q14164 4/20 0.43
FLT3 P36888 3/20 0.43
RPS6KA6 Q9UK32 3/20 0.43
LCK P06239 2/20 0.42
STK17A Q9UEE5 1/20 0.41

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
SCHEMBL5314538 0.93 KDR (0.44) KDRTBK1CCNT1CDK9IKBKE
SCHEMBL5310327 0.92 KDR (0.53) KDRTBK1CCNT1CDK9IKBKE
SCHEMBL5314902 0.90 KDR (0.46) KDRTBK1LCK
SCHEMBL5313989 0.89 KDR (0.44) KDRTBK1CCNT1CDK9IKBKE
SCHEMBL5311889 0.89 TBK1 (0.44) KDRTBK1CCNT1CDK9IKBKE
SCHEMBL5313128 0.89 KDR (0.45) KDRTBK1CCNT1CDK9IKBKE
SCHEMBL5312751 0.88 KDR (0.44) KDRTBK1LCK
SCHEMBL14530647 0.88 KDR (0.41) KDRTBK1LCK
SCHEMBL14530649 0.88 KDR (0.46) KDRTBK1CCNT1CDK9IKBKE
SCHEMBL5329362 0.88 KDR (0.40) KDRTBK1CCNT1CDK9IKBKE

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