SCHEMBL6176869

SCHEMBL6176869

Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 1.00
KDR P35968 9/20 1.00
SRC P12931 8/20 1.00
MAPK14 Q16539 9/20 0.64
EGFR P00533 2/20 0.63
RIPK2 O43353 1/20 0.63
TNK2 Q07912 1/20 0.63
PTK6 Q13882 1/20 0.63
MINK1 Q8N4C8 1/20 0.63
RAF1 P04049 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA2B P29275 1/20 0.54
ADORA1 P30542 1/20 0.54
GSK3B P49841 1/20 0.54
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48

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
SCHEMBL14833476 1.00 BRAF (1.00) BRAFKDRSRCMAPK14EGFR
SCHEMBL14839391 0.86 BRAF (1.00) BRAFKDRSRCMAPK14EGFR
SCHEMBL14839384 0.86 BRAF (1.00) BRAFKDRSRCMAPK14EGFR
SCHEMBL14839387 0.85 BRAF (1.00) BRAFKDRSRCMAPK14EGFR
SCHEMBL14839295 0.83 BRAF (0.72) BRAFKDRSRCMAPK14EGFR
SCHEMBL14839244 0.83 BRAF (1.00) BRAFKDRSRCMAPK14EGFR
SCHEMBL14839292 0.83 BRAF (1.00) BRAFKDRSRCMAPK14EGFR
SCHEMBL10542264 0.82 NPC1 (0.69) BRAFKDRSRCEGFRNPC1
SCHEMBL16232219 0.81 BRAF (1.00) BRAFKDRSRCMAPK14EGFR
SCHEMBL8547932 0.79 BRAF (0.65) BRAFKDRSRCMAPK14EGFR

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 5 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-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