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SCHEMBL5335564

SCHEMBL5335564

Cc1ccc(N(C)c2ccc3nc(Nc4cc(CCN5CCN(C(=O)C(C)(C)O)CC5)ccn4)sc3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 10/20 0.41
▸ KDR P35968 7/20 0.38
▸ LCK P06239 1/20 0.35
▸ ITK Q08881 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ IKBKE Q14164 1/20 0.34
▸ RPS6KA6 Q9UK32 1/20 0.34

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
SCHEMBL5333098 0.91 KDR (0.44) TBK1KDRLCKCCNT1FLT3
SCHEMBL5314538 0.90 KDR (0.44) TBK1KDRLCKCCNT1FLT3
SCHEMBL5312891 0.87 KDR (0.44) TBK1KDRLCKCCNT1FLT3
SCHEMBL5314698 0.87 KDR (0.43) TBK1KDRLCKCCNT1FLT3
SCHEMBL5314466 0.86 LCK (0.35) TBK1KDRLCK
SCHEMBL5314542 0.86 LCK (0.35) KDRLCK
SCHEMBL5310327 0.84 KDR (0.53) TBK1KDRLCKCCNT1FLT3
SCHEMBL5313606 0.82 KDR (0.53) TBK1KDRLCKCCNT1FLT3
SCHEMBL5329362 0.82 KDR (0.40) TBK1KDRLCKCCNT1FLT3
SCHEMBL5313527 0.82 KDR (0.37) TBK1KDRLCKCCNT1FLT3

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