SCHEMBL11244712

SCHEMBL11244712

CNC(=NC#N)NCc1cccc(-c2csc(NC(=N)N)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.45
ROCK2 O75116 14/20 0.44
ROCK1 Q13464 14/20 0.44
ATP4A P20648 4/20 0.44
ATP4B P51164 4/20 0.44
SGK1 O00141 1/20 0.41
AKT1 P31749 1/20 0.41
GSK3B P49841 1/20 0.41
LIMK1 P53667 1/20 0.41
TNK2 Q07912 1/20 0.41
DMPK Q09013 1/20 0.41
MYLK Q15746 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41

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
SCHEMBL11244710 1.00 PRMT6 (0.45) PRMT6ROCK2ROCK1ATP4AATP4B
SCHEMBL3616071 0.85 PRMT6 (0.62) PRMT6ROCK2ROCK1ATP4AATP4B
SCHEMBL11245292 0.84 MAPT (0.45)
SCHEMBL11245298 0.84 MAPT (0.45)
SCHEMBL11244719 0.81 ATP4A (0.47) PRMT6ROCK2ROCK1ATP4AATP4B
SCHEMBL3607745 0.81 ROCK2 (0.56) ROCK2ROCK1SGK1AKT1GSK3B
Oxalic Acid SCHEMBL11248693 0.79 KDM4E (0.49) ROCK2ROCK1ATP4AATP4BSGK1
SCHEMBL11260908 0.79 MAPT (0.42) ROCK2ROCK1ATP4AATP4B
SCHEMBL11244678 0.79 MAPT (0.42) ROCK2ROCK1ATP4AATP4B
SCHEMBL11244685 0.79 MAPT (0.42) ROCK2ROCK1ATP4AATP4B

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