SCHEMBL11241111

SCHEMBL11241111

Cc1cncc(-c2ccc(=O)n(C)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.47
CYP11B1 P15538 4/20 0.45
HRH3 Q9Y5N1 12/20 0.43
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39
CYP2A6 P11509 2/20 0.39

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
SCHEMBL4050698 0.80 MEN1 (0.46) CYP11B2CYP11B1HRH3
SCHEMBL26847505 0.80 CYP11B2 (0.46) CYP11B2CYP11B1CYP2A6
SCHEMBL11233206 0.78 CYP11B2 (0.45) CYP11B2CYP11B1ACVR1CYP2A6
SCHEMBL30567665 0.78 CYP11B2 (0.44) CYP11B2CYP11B1CYP2A6
SCHEMBL25407826 0.78 CYP11B2 (0.44) CYP11B2CYP11B1CYP2A6
SCHEMBL4061767 0.77 CYP2A6 (0.50) HRH3CYP2A6
SCHEMBL13744209 0.76 MKNK1 (0.54) CYP11B2CYP11B1CYP2A6
SCHEMBL11249351 0.75 HRH3 (0.46) HRH3
SCHEMBL11231804 0.74 HRH3 (0.51) HRH3
SCHEMBL15262387 0.72 HRH3 (0.43) HRH3

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