SCHEMBL6691854

SCHEMBL6691854

O=c1[nH]cc(-c2nc3cc(C(F)(F)F)ccc3s2)c(-c2ccccc2)c1-c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 3/20 0.46
ILK Q13418 2/20 0.44
PIM1 P11309 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
MAT2A P31153 1/20 0.36
NCS1 P62166 1/20 0.35
CSNK1D P48730 1/20 0.35
AKR1B1 P15121 2/20 0.35
RORC P51449 1/20 0.35
RORB Q92753 1/20 0.35
DYRK1A Q13627 1/20 0.35
STK10 O94804 1/20 0.34
SLK Q9H2G2 1/20 0.34
EIF4E P06730 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AKR1B10 O60218 1/20 0.34
AKR1A1 P14550 1/20 0.34

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
SCHEMBL2138665 0.73 ILK (0.54) AGPAT2ILKDYRK1AL3MBTL1
SCHEMBL1884283 0.72 AGPAT2 (0.44) AGPAT2ILKAKR1B1DYRK1AAKR1B10
SCHEMBL1665435 0.72 ILK (0.56) AGPAT2ILKAKR1B1DYRK1AL3MBTL1
SCHEMBL6691852 0.70 AGPAT2 (0.44) AGPAT2ILKMAT2AAKR1B1DYRK1A
SCHEMBL11011940 0.69 ILK (0.52) AGPAT2ILKNCS1AKR1B1DYRK1A
SCHEMBL12470403 0.69 ILK (0.56) AGPAT2ILKNCS1DYRK1AL3MBTL1
SCHEMBL3667347 0.68 MAPK14 (0.42)
SCHEMBL7259223 0.68 AGPAT2 (0.60) AGPAT2ILKDYRK1AL3MBTL1
SCHEMBL7263929 0.66 AGPAT2 (0.58) AGPAT2ILKDYRK1AEIF4E
SCHEMBL1666264 0.66 ILK (0.56) AGPAT2ILKDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465626-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES Eisai Co., Ltd. (JP) 2004-10-13 EP disclosed
WO-2003047577-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES EISAI CO LTD (JP) 2003-06-12 WO disclosed