Sugi Predict

Sugi Predict / Compounds / SCHEMBL5310867

SCHEMBL5310867

SCHEMBL5310867

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.41
▸ KDR P35968 11/20 0.41
▸ TBK1 Q9UHD2 6/20 0.37
▸ CCNT1 O60563 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ IKBKE Q14164 1/20 0.35
▸ RPS6KA6 Q9UK32 1/20 0.35

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
SCHEMBL5379687 0.93 LCK (0.43) LCKKDRTBK1CCNT1FLT3
SCHEMBL5310884 0.93 KDR (0.41) LCKKDRTBK1CCNT1FLT3
SCHEMBL5314466 0.92 LCK (0.35) LCKKDRTBK1
SCHEMBL5313056 0.91 LCK (0.34) LCKKDRTBK1
SCHEMBL14530647 0.90 KDR (0.41) LCKKDRTBK1
SCHEMBL14530649 0.90 KDR (0.46) LCKKDRTBK1CCNT1FLT3
SCHEMBL5313601 0.90 KDR (0.40) LCKKDRTBK1CCNT1FLT3
SCHEMBL5315874 0.89 KDR (0.39) LCKKDRTBK1IKBKE
SCHEMBL5310872 0.89 KDR (0.40) LCKKDRTBK1CCNT1FLT3
SCHEMBL5310327 0.88 KDR (0.53) LCKKDRTBK1CCNT1FLT3

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