SCHEMBL14989290

SCHEMBL14989290

Cc1ccsc1OC(=O)Nc1cc(CN2CCC(N3CCOCC3)CC2)ccc1/C=C/c1n[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 7/20 0.52
▸ AURKA O14965 7/20 0.52
▸ CTNNB1 P35222 1/20 0.35
▸ TCF7L2 Q9NQB0 1/20 0.35
▸ PLK4 O00444 1/20 0.35
▸ TACR2 P21452 1/20 0.34
▸ TACR3 P29371 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ INSR P06213 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ CCR3 P51677 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK5 Q00535 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
Hydrochloric Acid SCHEMBL14989099 0.93 AURKB (0.56) AURKBAURKAPLK4HRH3PDPK1
SCHEMBL4317531 0.89 AURKB (0.66) AURKBAURKAPLK4TACR2TACR3
SCHEMBL4317539 0.89 AURKB (0.66) AURKBAURKAPLK4TACR2TACR3
SCHEMBL14989042 0.89 AURKA (0.59) AURKBAURKACDK5CDK5R1
SCHEMBL14989132 0.88 AURKA (0.56) AURKBAURKACDK5CDK5R1
SCHEMBL14989189 0.88 AURKA (0.57) AURKBAURKACTNNB1TCF7L2MCHR1
SCHEMBL14988993 0.88 AURKA (0.54) AURKBAURKACTNNB1TCF7L2MCHR1
SCHEMBL14989335 0.88 AURKA (0.54) AURKBAURKAMCHR1CDK5CDK5R1
SCHEMBL14989222 0.87 AURKA (0.57) AURKBAURKAPLK4INSRIGF1R
SCHEMBL14989359 0.87 AURKA (0.53) AURKBAURKAMCHR1CDK5CDK5R1

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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