SCHEMBL14989166

SCHEMBL14989166

CC(=O)N1CCN(Cc2ccc(/C=C/c3n[nH]c4ccccc34)c(NC(=O)Oc3sccc3C)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 9/20 0.60
▸ AURKB Q96GD4 8/20 0.60
▸ CHEK1 O14757 3/20 0.44
▸ FGFR1 P11362 2/20 0.36
▸ FLT1 P17948 2/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CCR1 P32246 1/20 0.34
▸ FAAH O00519 2/20 0.34
▸ MAP4K4 O95819 2/20 0.34
▸ NTRK1 P04629 2/20 0.34
▸ FLT3 P36888 2/20 0.34
▸ BMPR1B O00238 1/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ STK25 O00506 1/20 0.34
▸ CIT O14578 1/20 0.34
▸ RIOK3 O14730 1/20 0.34
▸ IKBKB O14920 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
SCHEMBL14989042 0.94 AURKA (0.59) AURKAAURKBCHEK1FGFR1FLT1
SCHEMBL14989120 0.93 AURKA (0.70) AURKAAURKBCHEK1FGFR1FLT1
SCHEMBL14989199 0.92 AURKA (0.63) AURKAAURKBCHEK1FGFR1FLT1
SCHEMBL14989222 0.92 AURKA (0.57) AURKAAURKBCHEK1FGFR1FLT1
SCHEMBL14989004 0.91 AURKA (0.58) AURKAAURKBCHEK1FGFR1FLT1
Hydrochloric Acid SCHEMBL14989099 0.91 AURKB (0.56) AURKAAURKBCHEK1FGFR1FLT1
SCHEMBL14989122 0.90 AURKA (0.57) AURKAAURKBCHEK1FGFR1FLT1
SCHEMBL14989168 0.90 AURKB (0.56) AURKAAURKBCHEK1FGFR1FLT1
SCHEMBL14988946 0.90 AURKA (0.59) AURKAAURKBCHEK1FGFR1FLT1
SCHEMBL14989100 0.89 AURKA (0.55) AURKAAURKBCHEK1FGFR1FLT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847532-B1 IGF-1R INHIBITOR KYOWA HAKKO KIRIN CO LTD (JP) 2013-06-05 — — EP claimed
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