SCHEMBL11074426

SCHEMBL11074426

CSc1nc(=O)c(-c2ccc(F)cc2)nn1N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 13/20 0.44
▸ MAPK13 O15264 11/20 0.44
▸ MAPK12 P53778 11/20 0.44
▸ MAPK11 Q15759 11/20 0.44
▸ ADORA2A P29274 2/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CSNK1E P49674 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ GCGR P47871 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL11062596 0.77 ALDH1A1 (0.40) MAPK14ADORA2AADORA1ALDH1A1CSNK1E
SCHEMBL11069470 0.70 LIPE (0.42) ALDH1A1L3MBTL1
SCHEMBL11068704 0.67 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL11218346 0.65 KMT2A (0.47) ADORA1ALDH1A1L3MBTL1ADORA3
SCHEMBL1786845 0.65 NPSR1 (0.56) ADORA2AADORA1ALDH1A1L3MBTL1ADORA3
SCHEMBL17541749 0.64 KDM4C (0.48) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL5792669 0.63 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL11071668 0.60 TDP2 (0.45) MAPK14ALDH1A1
SCHEMBL14067727 0.60 MAPK14 (0.47) MAPK14ADORA2AADORA1ALDH1A1PTGS1
SCHEMBL28746869 0.60 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11ADORA2A

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
EP-0044696-B1 5-OXO-2,5,-DIHYDRO-1,2,4-TRIAZINES, METHODS FOR THEIR PRODUCTION, HERBICIDAL COMPOSITIONS COMPRISING THEM, AND THEIR USE AS HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-10-17 — — EP disclosed
US-4451283-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-29 — — US disclosed
EP-0044696-A2 5-Oxo-2,5,-dihydro-1,2,4-triazines, methods for their production, herbicidal compositions comprising them, and their use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-01-27 — — EP disclosed
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