SCHEMBL11244719

SCHEMBL11244719

CN(Cc1cccc(-c2csc(NC(=N)N)n2)c1)C(N)=NC#N

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 7/20 0.47
ATP4B P51164 7/20 0.47
ROCK2 O75116 3/20 0.44
ROCK1 Q13464 2/20 0.44
ABL1 P00519 3/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
MAPT P10636 1/20 0.39
PRMT6 Q96LA8 1/20 0.38
ELOVL1 Q9BW60 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3599186 0.84 ATP4A (0.61) ATP4AATP4BROCK2ROCK1ABL1
SCHEMBL11245308 0.83 ABL1 (0.41) ATP4AATP4BABL1CSNK2A2CSNK2B
SCHEMBL11244710 0.81 PRMT6 (0.45) ATP4AATP4BROCK2ROCK1PRMT6
SCHEMBL11244712 0.81 PRMT6 (0.45) ATP4AATP4BROCK2ROCK1PRMT6
SCHEMBL11260913 0.80 ATP4A (0.39) ATP4AATP4BROCK2ABL1MAPT
SCHEMBL11257651 0.79 GSTO1 (0.39) ATP4AATP4BROCK2ABL1CSNK2A2
SCHEMBL11242112 0.79 MAPT (0.44) ABL1MAPTMEN1KMT2A
SCHEMBL11242103 0.79 MAPT (0.44) ABL1MAPTMEN1KMT2A
SCHEMBL10673686 0.79 ABL1 (0.39) ATP4AATP4BABL1MAPTMEN1
SCHEMBL11252869 0.79 ATP4A (0.37) ATP4AATP4BROCK2ABL1CSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4315009-A Antisecretory guanidine derivatives and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-02-09 US disclosed
EP-0003640-B1 ANTISECRETORY GUANIDINE DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-01-27 EP disclosed
EP-0003640-A2 Antisecretory guanidine derivatives, processes for their manufacture and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-08-22 EP disclosed