SCHEMBL7264282

SCHEMBL7264282

O=c1[nH]ncc(-c2ccccn2)c1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.59
MAPK14 Q16539 3/20 0.47
CYP2A6 P11509 1/20 0.44
LMNA P02545 1/20 0.44
NPY5R Q15761 1/20 0.42
TGFBR2 P37173 1/20 0.42
ABL2 P42684 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
MAP3K20 Q9NYL2 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
CYP1A2 P05177 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
BTK Q06187 1/20 0.41

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
SCHEMBL8212288 0.82 AKT1 (0.53) TGFBR1MAPK14LMNAHTTATM
SCHEMBL10981794 0.80 AKT1 (0.52) TGFBR1MAPK14LMNAHTTATM
SCHEMBL9824714 0.77 NISCH (0.51) TGFBR1MAPK14LMNACSNK1A1CYP1A2
SCHEMBL7283286 0.75 TGFBR1 (0.47) TGFBR1MAPK14LMNATGFBR2ABL2
SCHEMBL3667468 0.74 PARP1 (0.45) TGFBR1CYP2A6LMNANPY5RSMN1; SMN2
SCHEMBL2511846 0.74 LMNA (0.47) LMNASMN1; SMN2HTTATMCYP1A2
SCHEMBL3753128 0.74 PRKCI (0.47) TGFBR1MAPK14LMNATGFBR2ABL2
SCHEMBL4510667 0.74 LMNA (0.56) TGFBR1MAPK14LMNATGFBR2ABL2
SCHEMBL23294714 0.72 TGFBR1 (0.54) TGFBR1MAPK14LMNATGFBR2ABL2
SCHEMBL29852117 0.72 TGFBR1 (0.54) TGFBR1MAPK14LMNATGFBR2ABL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178875-B1 PYRIDYLPHENYLPYRIDAZINONE INOTROPIC AGENTS ELI LILLY AND COMPANY (US) 1989-04-12 EP disclosed
EP-0178875-A1 Pyridylphenylpyridazinone inotropic agents ELI LILLY AND COMPANY (US) 1986-04-23 EP disclosed
EP-0178875-A1 Pyridylphenylpyridazinone inotropic agents ELI LILLY AND COMPANY (US) 1986-04-23 EP disclosed