SCHEMBL14989337

SCHEMBL14989337

Cc1ccsc1OC(=O)Nc1cc(CN(CCO)CCN2CCOCC2)ccc1/C=C/c1n[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.49
▸ AURKB Q96GD4 6/20 0.49
▸ CASR P41180 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ PLK4 O00444 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ PDGFRA P16234 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
SCHEMBL4312089 0.90 AURKA (0.60) AURKAAURKBCASRALDH1A1KDM4E
SCHEMBL4312085 0.90 AURKA (0.60) AURKAAURKBCASRALDH1A1KDM4E
Hydrochloric Acid SCHEMBL14989099 0.88 AURKB (0.56) AURKAAURKBPLK4NTRK1
SCHEMBL14989121 0.87 AURKA (0.48) AURKAAURKBKDM4EMEN1KMT2A
SCHEMBL14989004 0.85 AURKA (0.58) AURKAAURKBPLK4MAPK10EGFR
SCHEMBL14989042 0.83 AURKA (0.59) AURKAAURKBMAPK10ABL1NTRK1
SCHEMBL14989235 0.83 AURKA (0.56) AURKAAURKBALDH1A1KDM4EABL1
SCHEMBL14989290 0.82 AURKB (0.52) AURKAAURKBPLK4
SCHEMBL14989122 0.82 AURKA (0.57) AURKAAURKBMAPK10ABL1NTRK1
SCHEMBL14989222 0.81 AURKA (0.57) AURKAAURKBALDH1A1PLK4MEN1

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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