SCHEMBL11242864

SCHEMBL11242864

Nc1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.61
PDE3A Q14432 4/20 0.61
PDE2A O00408 1/20 0.61
AURKB Q96GD4 3/20 0.53
INCENP Q9NQS7 3/20 0.53
MAPT P10636 2/20 0.53
AURKA O14965 2/20 0.53
TTK P33981 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
GLA P06280 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
THRB P10828 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53

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
Hydrochloric Acid SCHEMBL11246455 0.97 PDE3B (0.58) PDE3BPDE3APDE2AAURKBINCENP
SCHEMBL1392639 0.84 ADORA3 (0.56) PDE3BPDE3APDE2AAURKBINCENP
SCHEMBL11245286 0.81 CYP1A2 (0.63) PDE3BPDE3APDE2AAURKBINCENP
SCHEMBL238785 0.81 MKNK2 (0.47) PDE3BPDE3APDE2AAURKBINCENP
SCHEMBL11246270 0.77 CASP1 (0.54) MAPTCASP1GSK3BGSK3ADYRK1A
SCHEMBL10668965 0.77 PDE3B (1.00) PDE3BPDE3APDE2AMAPTMEN1
SCHEMBL1754686 0.76 GSK3B (0.49) MAPTAURKAKDM4EALDH1A1CYP1A2
SCHEMBL7312649 0.75 MAPT (0.51) PDE3BPDE3APDE2AAURKBINCENP
SCHEMBL2950654 0.75 GSK3B (0.53) AURKBMAPTALDH1A1CASP1GSK3B
SCHEMBL11231763 0.74 PDE3B (0.46) PDE3BPDE3APDE2AAURKBINCENP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4305943-A 4-Amino-6-(pyridinyl)-3(2H)-pyridazinones and their use as cardiotonics STERLING DRUG INC. (US) 1981-12-15 US claimed
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-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