SCHEMBL8735576

SCHEMBL8735576

CCn1c2s[nH]c(=O)c2c(=O)c2cc(F)c(F)c(OC(F)F)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.38
GSK3A P49840 2/20 0.38
IKBKB O14920 1/20 0.38
AURKA O14965 1/20 0.38
CHUK O15111 1/20 0.38
MAPK13 O15264 1/20 0.38
DAPK3 O43293 1/20 0.38
PRKCG P05129 1/20 0.38
CDK2 P24941 1/20 0.38
MARK3 P27448 1/20 0.38
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
NEK2 P51955 1/20 0.38
PLK1 P53350 1/20 0.38
MAPK12 P53778 1/20 0.38
CDK5 Q00535 1/20 0.38
PRKCD Q05655 1/20 0.38
PAK1 Q13153 1/20 0.38
STK3 Q13188 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
SCHEMBL8733968 0.81 IKBKB (0.34) PIM1GSK3AIKBKBAURKACHUK
SCHEMBL13177179 0.77
SCHEMBL9206115 0.74 IKBKB (0.40) PIM1GSK3AIKBKBAURKACHUK
SCHEMBL606398 0.74 POLB (0.38) PIM1GSK3AIKBKBAURKACHUK
SCHEMBL9207666 0.74 IKBKB (0.40) PIM1GSK3AIKBKBAURKACHUK
SCHEMBL9209275 0.74 IKBKB (0.40) PIM1GSK3AIKBKBAURKACHUK
SCHEMBL9214098 0.74 KDM4E (0.45) PIM1GSK3AIKBKBAURKACHUK
SCHEMBL9207531 0.73 IKBKB (0.39) PIM1GSK3AIKBKBAURKACHUK
SCHEMBL9212545 0.72 IKBKB (0.37) PIM1GSK3AIKBKBAURKACHUK
SCHEMBL9212551 0.71 IKBKB (0.36) PIM1GSK3AIKBKBAURKACHUK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0878194-A1 REMEDIES OR PREVENTIVES FOR AIDS SANKYO COMPANY LIMITED (JP) 1998-11-18 EP disclosed
US-5688791-A COMPOUNDS FOR TREATMENNT OF VIRAL DISEASES SUCH AS AIDS UBE INDUSTRIES, LTD. (JP) 1997-11-18 US disclosed
US-5519016-A Aryl group- or aromatic heterocyclic group-substituted aminoquinolone derivatives and anti-HIV agent UBE INDUSTRIES, LTD. (JP) 1996-05-21 US disclosed
EP-0572259-A1 Aminoquinolone derivatives as anti-HIV agents UBE INDUSTRIES, LTD. (JP) 1993-12-01 EP disclosed