SCHEMBL14988993

SCHEMBL14988993

Cc1ccsc1OC(=O)Nc1cc(CN2CCC(C)C2)ccc1/C=C/c1n[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.54
▸ AURKB Q96GD4 6/20 0.54
▸ KCNH2 Q12809 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ ACKR3 P25106 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL14989335 0.93 AURKA (0.54) AURKAAURKBKCNH2HDAC1CDK5
SCHEMBL14989359 0.93 AURKA (0.53) AURKAAURKBKCNH2HDAC1CDK5
SCHEMBL14989064 0.91 AURKA (0.54) AURKAAURKBKCNH2HDAC1KDM4E
SCHEMBL14989189 0.91 AURKA (0.57) AURKAAURKBCDK5CDK5R1FGFR1
SCHEMBL14989042 0.90 AURKA (0.59) AURKAAURKBCDK5CDK5R1FGFR1
SCHEMBL14989132 0.90 AURKA (0.56) AURKAAURKBCDK5CDK5R1FGFR1
SCHEMBL14989222 0.89 AURKA (0.57) AURKAAURKBCDK5CDK5R1FGFR1
SCHEMBL4310588 0.88 AURKA (0.67) AURKAAURKBKCNH2HDAC1CDK5
SCHEMBL4310581 0.88 AURKA (0.67) AURKAAURKBKCNH2HDAC1CDK5
SCHEMBL14989004 0.88 AURKA (0.58) 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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