SCHEMBL11243516

SCHEMBL11243516

Cc1cncc(C(=O)CCC#N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.51
ATM Q13315 1/20 0.47
SMYD3 Q9H7B4 3/20 0.39
CTSB P07858 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
PTGS2 P35354 1/20 0.31
ACKR3 P25106 1/20 0.31
THRB P10828 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL1857947 0.83 HCAR2 (0.55) HCAR2ATMSMYD3CTSBCYP2C9
SCHEMBL906183 0.80 HCAR2 (0.58) HCAR2ATMSMYD3CYP2C9CYP2C19
SCHEMBL26308881 0.75 HCAR2 (0.62) HCAR2ATMSMYD3CYP2C9CYP2C19
SCHEMBL17819609 0.75 HCAR2 (0.62) HCAR2ATMSMYD3CYP2C9CYP2C19
SCHEMBL11240574 0.75 ALDH1A1 (0.39) ATMCYP2C9CYP2C19HTTKMT2A
SCHEMBL1203317 0.74 HCAR2 (0.60) HCAR2ATMSMYD3CYP2C9CYP2C19
SCHEMBL11728908 0.74 KMT2A (0.58) RAB9ACTNNB1WNT3AKMT2ATHRB
Bromide SCHEMBL17504050 0.73 HCAR2 (0.58) HCAR2ATMSMYD3CYP2C9CYP2C19
SCHEMBL3932662 0.72 PLOD2 (0.56) HCAR2CTNNB1WNT3AKMT2ATHRB
SCHEMBL21240973 0.71 HCAR2 (0.56) HCAR2ATMSMYD3CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4354026-A 3-Chloro-6-(pyridinyl)-pyridazines STERLING DRUG INC. (US) 1982-10-12 US 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
US-4304775-A 3-Hydrazino-6-(pyridinyl) pyridazines and cardiotonic use thereof STERLING DRUG INC. (US) 1981-12-08 US disclosed