SCHEMBL11238845

SCHEMBL11238845

O=C1CCC(c2ccncc2)=NN1CCO

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
THRB P10828 1/20 0.44
LMNA P02545 4/20 0.43
PDE4B Q07343 1/20 0.43
TP53 P04637 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PGR P06401 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
CDC7 O00311 1/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL11240512 0.91 PDE4B (0.52) KMT2ATHRBLMNAPDE4BTP53
SCHEMBL11242218 0.90 PDE4B (0.48) KMT2ATHRBLMNAPDE4BTP53
SCHEMBL11149657 0.86 KMT2A (0.58) KMT2ATHRBLMNATP53SMN1; SMN2
SCHEMBL11242032 0.85 PDE4B (0.51) KMT2ATHRBLMNAPDE4BTP53
SCHEMBL11400866 0.84 KMT2A (0.56) KMT2ATHRBLMNAPDE4BTP53
SCHEMBL11397697 0.82 THRB (0.45) KMT2ATHRBLMNAPDE4BTP53
SCHEMBL11247165 0.81 PDE4B (0.43) KMT2ATHRBLMNAPDE4BTP53
SCHEMBL7279490 0.81 PDE3B (0.53) KMT2ATHRBLMNAPDE4BMEN1
SCHEMBL11242345 0.80 PDE3B (0.51) KMT2ATHRBPDE4BSMN1; SMN2ALDH1A1
SCHEMBL11242158 0.78 TP53 (0.46) KMT2ALMNAPDE4BTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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