SCHEMBL14989122

SCHEMBL14989122

COCCN1CCN(Cc2ccc(/C=C/c3n[nH]c4ccccc34)c(NC(=O)Oc3sccc3C)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 8/20 0.57
▸ AURKB Q96GD4 7/20 0.57
▸ CDK5 Q00535 2/20 0.37
▸ CDK5R1 Q15078 2/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ MAP3K7 O43318 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ GSK3B P49841 4/20 0.36
▸ NTRK1 P04629 2/20 0.35
▸ MAP4K4 O95819 2/20 0.35
▸ FLT3 P36888 2/20 0.35
▸ PDGFRB P09619 2/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ NTRK3 Q16288 1/20 0.34
▸ NTRK2 Q16620 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
SCHEMBL14989091 0.96 AURKA (0.56) AURKAAURKBCDK5CDK5R1FGFR1
SCHEMBL14989042 0.94 AURKA (0.59) AURKAAURKBCDK5CDK5R1FGFR1
SCHEMBL14989004 0.93 AURKA (0.58) AURKAAURKBCDK5CDK5R1FGFR1
SCHEMBL14989235 0.93 AURKA (0.56) AURKAAURKBCDK5CDK5R1FGFR1
SCHEMBL14989199 0.91 AURKA (0.63) AURKAAURKBCDK5CDK5R1FGFR1
SCHEMBL14989222 0.91 AURKA (0.57) AURKAAURKBCDK5CDK5R1FGFR1
SCHEMBL14989100 0.90 AURKA (0.55) AURKAAURKBCDK5CDK5R1FGFR1
SCHEMBL14989166 0.90 AURKA (0.60) AURKAAURKBCDK5CDK5R1FGFR1
Hydrochloric Acid SCHEMBL14989099 0.90 AURKB (0.56) AURKAAURKBCDK5CDK5R1FGFR1
SCHEMBL4324741 0.89 AURKA (0.70) AURKAAURKBCDK5CDK5R1FGFR1

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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