SCHEMBL14989120

SCHEMBL14989120

Cc1ccsc1OC(=O)Nc1cc(CN2CCN(C(=O)CO)CC2)ccc1/C=C/c1n[nH]c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 9/20 0.70
▸ AURKB Q96GD4 8/20 0.70
▸ CHEK1 O14757 2/20 0.37
▸ FGFR1 P11362 2/20 0.35
▸ FLT1 P17948 2/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAP4K4 O95819 2/20 0.33
▸ NTRK1 P04629 2/20 0.33
▸ FLT3 P36888 2/20 0.33
▸ FAAH O00519 2/20 0.33
▸ MAPK8 P45983 2/20 0.33
▸ MAPK10 P53779 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ BMPR1B O00238 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
SCHEMBL14989199 0.95 AURKA (0.63) AURKAAURKBCHEK1FGFR1FLT1
SCHEMBL14989166 0.93 AURKA (0.60) AURKAAURKBCHEK1FGFR1FLT1
SCHEMBL14989042 0.92 AURKA (0.59) AURKAAURKBCHEK1FGFR1FLT1
SCHEMBL14989004 0.92 AURKA (0.58) AURKAAURKBCHEK1FGFR1FLT1
SCHEMBL14989222 0.91 AURKA (0.57) AURKAAURKBCHEK1FGFR1FLT1
Hydrochloric Acid SCHEMBL14989099 0.90 AURKB (0.56) AURKAAURKBCHEK1FGFR1FLT1
SCHEMBL14989041 0.89 AURKA (0.56) AURKAAURKBCHEK1FGFR1FLT1
SCHEMBL14989132 0.89 AURKA (0.56) AURKAAURKBFGFR1FLT1CDK5
SCHEMBL14989168 0.89 AURKB (0.56) AURKAAURKBCHEK1FGFR1FLT1
SCHEMBL14989122 0.89 AURKA (0.57) 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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