SCHEMBL14989100

SCHEMBL14989100

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 9/20 0.55
▸ AURKB Q96GD4 8/20 0.55
▸ FGFR1 P11362 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ NTRK1 P04629 2/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ NTRK3 Q16288 1/20 0.33
▸ NTRK2 Q16620 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ PCSK9 Q8NBP7 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31

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 0.92 AURKA (0.59) AURKAAURKBFGFR1FLT1CDK5
SCHEMBL14989004 0.92 AURKA (0.58) AURKAAURKBFGFR1FLT1CDK5
SCHEMBL14989122 0.90 AURKA (0.57) AURKAAURKBFGFR1FLT1CDK5
SCHEMBL14989222 0.90 AURKA (0.57) AURKAAURKBFGFR1FLT1CDK5
SCHEMBL14989091 0.89 AURKA (0.56) AURKAAURKBFGFR1FLT1CDK5
SCHEMBL14989166 0.89 AURKA (0.60) AURKAAURKBFGFR1FLT1CDK5
SCHEMBL14989235 0.89 AURKA (0.56) AURKAAURKBFGFR1FLT1CDK5
SCHEMBL4315572 0.88 AURKA (0.69) AURKAAURKBFGFR1FLT1CDK5
SCHEMBL4315578 0.88 AURKA (0.69) AURKAAURKBFGFR1FLT1CDK5
Hydrochloric Acid SCHEMBL14989099 0.88 AURKB (0.56) AURKAAURKBFGFR1FLT1CDK5

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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