SCHEMBL5314665

SCHEMBL5314665

CN(c1ccc2nc(Nc3cc(CN4CCN(CC=O)CC4)ccn3)sc2n1)c1ccc(Cl)cc1F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.40
KDR P35968 11/20 0.38
TBK1 Q9UHD2 7/20 0.34
FLT3 P36888 2/20 0.34
IKBKE Q14164 2/20 0.34
RPS6KA6 Q9UK32 2/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
TMEM97 Q5BJF2 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
SCHEMBL5315530 0.93 KDR (0.39) LCKKDRTBK1FLT3IKBKE
SCHEMBL5313703 0.91 LCK (0.39) LCKKDRTBK1FLT3IKBKE
SCHEMBL5331156 0.89 LCK (0.47) LCKKDR
SCHEMBL5379687 0.89 LCK (0.43) LCKKDRTBK1FLT3IKBKE
SCHEMBL5313601 0.87 KDR (0.40) LCKKDRTBK1FLT3IKBKE
SCHEMBL5310884 0.86 KDR (0.41) LCKKDRTBK1FLT3IKBKE
SCHEMBL5310867 0.83 LCK (0.41) LCKKDRTBK1FLT3IKBKE
SCHEMBL14531379 0.83 KDR (0.39) LCKKDRTBK1FLT3IKBKE
SCHEMBL5314116 0.82 DYRK2 (0.39)
SCHEMBL5335400 0.82 KDR (0.53) LCKKDRTBK1FLT3IKBKE

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