SCHEMBL11233677

SCHEMBL11233677

CCc1cnccc1C(=O)CCC#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.40
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
KDM4C Q9H3R0 8/20 0.37
KDM6B O15054 4/20 0.36
AAK1 Q2M2I8 1/20 0.35
CYP2E1 P05181 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
KDM4A O75164 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL19840668 0.82 KDM4C (0.44) KDM4CKDM6BKDM4EALDH1A1TDP1
SCHEMBL16684319 0.76 KDM4C (0.41) KDM4CKDM6BCYP2E1CYP2C8CYP2D6
Bromide SCHEMBL16671695 0.74 KDM4C (0.40) CCNCCDK8KDM4CKDM6BCYP2E1
SCHEMBL11236770 0.73 KDM4C (0.44) KDM4CKDM6BCYP2E1CYP2C8CYP2D6
SCHEMBL30100781 0.73 KDM4C (0.56) KDM4CKDM6BKDM4EALDH1A1TDP1
SCHEMBL115648 0.73 KDM4C (0.56) KDM4CKDM6BKDM4EALDH1A1TDP1
SCHEMBL11088722 0.72 CYP1A2 (0.48) CYP2D6CYP2A6CYP2C19KDM4EALDH1A1
SCHEMBL8594489 0.72 TDP1 (0.56) CCNCCDK8KDM4CKDM6BCYP2E1
SCHEMBL1026384 0.72 KDM4C (0.42) KDM4CKDM6BCYP2E1CYP2C8CYP2D6
Hydrochloric Acid SCHEMBL1026385 0.72 KDM4C (0.54) KDM4CKDM6BKDM4EALDH1A1TDP1

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