SCHEMBL6177947

SCHEMBL6177947

Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 1.00
BRAF P15056 8/20 0.65
KDR P35968 8/20 0.65
SRC P12931 7/20 0.65
EGFR P00533 2/20 0.60
RIPK2 O43353 1/20 0.60
TNK2 Q07912 1/20 0.60
PTK6 Q13882 1/20 0.60
MINK1 Q8N4C8 1/20 0.60
CSNK1D P48730 2/20 0.52
CSNK1E P49674 2/20 0.52
MAPK13 O15264 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
CSNK1A1 P48729 1/20 0.52
RAF1 P04049 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
ADORA1 P30542 1/20 0.51

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
SCHEMBL6076732 0.85 MAPK14 (0.74) MAPK14BRAFKDRSRCEGFR
SCHEMBL5258835 0.82 MAPK14 (0.69) MAPK14BRAFKDRSRCEGFR
SCHEMBL14839391 0.79 BRAF (1.00) MAPK14BRAFKDRSRCEGFR
SCHEMBL6177712 0.79 MAPK14 (0.65) MAPK14BRAFKDRSRCEGFR
SCHEMBL6176869 0.78 BRAF (1.00) MAPK14BRAFKDRSRCEGFR
SCHEMBL14833476 0.78 BRAF (1.00) MAPK14BRAFKDRSRCEGFR
SCHEMBL14411197 0.77 MAPK14 (0.63) MAPK14BRAFKDRSRCEGFR
SCHEMBL8547932 0.77 BRAF (0.65) MAPK14BRAFKDRSRCEGFR
SCHEMBL14839384 0.76 BRAF (1.00) MAPK14BRAFKDRSRCEGFR
SCHEMBL14839244 0.76 BRAF (1.00) MAPK14BRAFKDRSRCEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1326848-C Aminopyrazole derivatives TEIKOKU HORMONE MFG CO LTD (JP) 2007-07-18 CN disclosed
EP-1142890-B1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2005-08-03 EP disclosed
US-6511997-B1 For treatment of a disease associated with tumor necrosis factor alpha, interleukin 1, interleukin 6 or cyclooxygenase II; such as irritable bowel disease TEIKOKU HORMONE MFG. CO., LTD. (JP) 2003-01-28 US disclosed
CN-1342157-A Substituted pyrazoles ASP38 kinase inhibitors SEARLE & CO (US) 2002-03-27 CN disclosed
CN-1331688-A Aminopyridine Derivatives TEIKOKU HORMONE MFG CO LTD (JP) 2002-01-16 CN disclosed
EP-1142890-A1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-10-10 EP disclosed