SCHEMBL14989199

SCHEMBL14989199

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 8/20 0.63
▸ AURKB Q96GD4 7/20 0.63
▸ CHEK1 O14757 2/20 0.36
▸ LTA4H P09960 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK10 P53779 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
SCHEMBL14989120 0.95 AURKA (0.70) AURKAAURKBCHEK1CDK5CDK5R1
SCHEMBL14989166 0.92 AURKA (0.60) AURKAAURKBCHEK1CDK5CDK5R1
SCHEMBL14989042 0.92 AURKA (0.59) AURKAAURKBCHEK1CDK5CDK5R1
SCHEMBL14989122 0.91 AURKA (0.57) AURKAAURKBCHEK1CDK5CDK5R1
SCHEMBL14989004 0.91 AURKA (0.58) AURKAAURKBCHEK1CDK5CDK5R1
SCHEMBL14989222 0.90 AURKA (0.57) AURKAAURKBCHEK1CDK5CDK5R1
SCHEMBL14989091 0.90 AURKA (0.56) AURKAAURKBCHEK1CDK5CDK5R1
Hydrochloric Acid SCHEMBL14989099 0.89 AURKB (0.56) AURKAAURKBCHEK1CDK5CDK5R1
SCHEMBL4313874 0.89 AURKA (0.79) AURKAAURKBCHEK1LTA4HCDK5
SCHEMBL4313866 0.89 AURKA (0.79) AURKAAURKBCHEK1LTA4HCDK5

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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