SCHEMBL5315868

SCHEMBL5315868

CC(=O)C1CCN(Cc2ccnc(Nc3nc4ccc(N(C)c5ccc(C)cc5)nc4s3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.42
KDR P35968 5/20 0.41
TBK1 Q9UHD2 13/20 0.40

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
SCHEMBL5310327 0.89 KDR (0.53) LCKKDRTBK1
SCHEMBL14530649 0.88 KDR (0.46) LCKKDRTBK1
SCHEMBL5313989 0.88 KDR (0.44) LCKKDRTBK1
SCHEMBL5312001 0.88 KDR (0.37) LCKKDRTBK1
SCHEMBL5315874 0.87 KDR (0.39) LCKKDRTBK1
SCHEMBL14530657 0.87 ACKR3 (0.42) LCKKDRTBK1
SCHEMBL5313128 0.87 KDR (0.45) LCKKDRTBK1
SCHEMBL5312751 0.87 KDR (0.44) LCKKDRTBK1
SCHEMBL5310872 0.87 KDR (0.40) LCKKDRTBK1
SCHEMBL14530647 0.86 KDR (0.41) LCKKDRTBK1

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