SCHEMBL14989352

SCHEMBL14989352

Cc1ccsc1C(=O)Nc1cc(CN2CCN(CCN3CCOCC3)CC2)ccc1/C=C/c1n[nH]c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 9/20 0.70
AURKA O14965 8/20 0.70
CDK1 P06493 3/20 0.41
CCNB1 P14635 3/20 0.41
CDK2 P24941 3/20 0.41
MAPK14 Q16539 1/20 0.40
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
PLK4 O00444 1/20 0.38
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
FLT3 P36888 2/20 0.38
MAP4K4 O95819 1/20 0.38
NTRK1 P04629 1/20 0.38
MAPT P10636 2/20 0.38
GALR3 O60755 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL14989354 1.00 AURKB (0.70) AURKBAURKACDK1CCNB1CDK2
SCHEMBL14989033 0.98 AURKB (0.72) AURKBAURKACDK1CCNB1CDK2
SCHEMBL14989031 0.98 AURKB (0.72) AURKBAURKACDK1CCNB1CDK2
Hydrochloric Acid SCHEMBL4314042 0.98 AURKB (0.71) AURKBAURKACDK1CCNB1CDK2
Hydrochloric Acid SCHEMBL4314035 0.98 AURKB (0.71) AURKBAURKACDK1CCNB1CDK2
SCHEMBL4313197 0.93 AURKA (0.74) AURKBAURKACDK5CDK5R1FGFR1
SCHEMBL4313205 0.93 AURKA (0.74) AURKBAURKACDK5CDK5R1FGFR1
SCHEMBL4326126 0.93 AURKA (0.74) AURKBAURKACDK5CDK5R1FGFR1
SCHEMBL4326122 0.93 AURKA (0.74) AURKBAURKACDK5CDK5R1FGFR1
SCHEMBL4317531 0.92 AURKB (0.66) AURKBAURKACDK1CCNB1CDK2

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