SCHEMBL4061176

SCHEMBL4061176

CCn1nc(-c2ccncc2)ccc1=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
TP53 P04637 3/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
HDAC1 Q13547 1/20 0.44
MET P08581 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
SCHEMBL11232521 0.87 MAPT (0.50) MAPTTP53THRBSMN1; SMN2HSD17B10
SCHEMBL14679180 0.84 KDM4E (0.47) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL4054492 0.84 HTT (0.62) TP53SMN1; SMN2HSD17B10HTTKDM4E
Bromide SCHEMBL5751833 0.83 HTT (0.61) TP53SMN1; SMN2HSD17B10HTTKDM4E
SCHEMBL15317755 0.82 MAPT (0.49) MAPTTP53THRBSMN1; SMN2HSD17B10
SCHEMBL11244649 0.82 MAPT (0.49) MAPTTP53THRBSMN1; SMN2HSD17B10
SCHEMBL4057475 0.82 TBXAS1 (0.55) SMN1; SMN2HTTKDM4EALDH1A1TSHR
SCHEMBL11237930 0.82 HSD17B10 (0.50) MAPTTP53THRBHSD17B10MEN1
SCHEMBL24035608 0.81 MEN1 (0.52) MAPTTP53SMN1; SMN2HSD17B10HTT
SCHEMBL10194702 0.81 KDM4E (0.52) MAPTTP53SMN1; SMN2HSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
US-7511038-B2 Pyridazin-3(2H)-one derivatives and their use as PDE4 inhibitors LABORATORIOS ALMIRALL S.A. (ES) 2009-03-31 US disclosed
CN-1878759-A Pyridazin-3 (2H) -one derivatives and their use as PDE4 inhibitors ALMIRALL PRODESFARMA SA (ES) 2006-12-13 CN disclosed
EP-1682519-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2006-07-26 EP disclosed
WO-2005049581-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL PRODESFARMA, S.A. (ES) 2005-06-02 WO disclosed
US-4346221-A Preparation of 4-amino-6-(pyridinyl)-3(2H)-pyridazinones from 6-(pyridinyl)-3(2H)-pyridazinones STERLING DRUG INC. (US) 1982-08-24 US disclosed
US-4338446-A Di-(lower-alkyl)hydroxy-[2-oxo-2-(pyridinyl)ethyl]-propanedioates STERLING DRUG INC. (US) 1982-07-06 US disclosed
US-4337253-A 4,5-Dihydro-2-methyl-6-(4-pyridinyl)-3(2H)-pyridazinone and its use as a cardiotonic STERLING DRUG INC. (US) 1982-06-29 US disclosed
US-4305943-A 4-Amino-6-(pyridinyl)-3(2H)-pyridazinones and their use as cardiotonics STERLING DRUG INC. (US) 1981-12-15 US disclosed
US-4304776-A 4-Substituted-6-(pyridinyl)-3(2h)-pyridazinones and their use as intermediates and cardiotonics STERLING DRUG INC. (US) 1981-12-08 US disclosed
US-4304777-A 6-(Pyridinyl)-3(2H)-pyridazinones and their use as cardiotonics STERLING DRUG INC. (US) 1981-12-08 US disclosed