SCHEMBL11241884

SCHEMBL11241884

CC(O)Cn1nc(-c2ccncc2)cc(C(=O)O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
DHODH Q02127 1/20 0.40
GSK3B P49841 4/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 1/20 0.38
CLK1 P49759 1/20 0.38
UBE2N P61088 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
MARS1 P56192 1/20 0.37
KDM6B O15054 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL11247865 0.91 MAPT (0.41) MAPTDHODHGSK3BALDH1A1GAA
SCHEMBL11246666 0.89 CASP1 (0.44) MAPTALDH1A1HPGDHSD17B10MAPK1
SCHEMBL11242680 0.87 KDM4E (0.45) MAPTGSK3BALDH1A1HPGDHSD17B10
SCHEMBL11252569 0.85 ALDH1A1 (0.53) MAPTGSK3BALDH1A1GAAHPGD
SCHEMBL11230958 0.84 PDE4B (0.43) MAPTDHODHGSK3BALDH1A1GAA
SCHEMBL11249444 0.82 AURKB (0.43) MAPTGSK3BTP53THRBADORA2A
SCHEMBL11239782 0.82 GSK3B (0.41) MAPTDHODHGSK3BALDH1A1GAA
SCHEMBL11233660 0.81 DHODH (0.42) MAPTDHODHGSK3BALDH1A1GAA
SCHEMBL1927369 0.81 KDM4E (0.45) MAPTDHODHHSD17B10KDM4EMEN1
SCHEMBL11248872 0.80 CASP1 (0.45) MAPTGSK3BTP53THRBCASP1

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 4 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-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