SCHEMBL6175447

SCHEMBL6175447

CCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cn1cccn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.45
EGFR P00533 1/20 0.45
RAF1 P04049 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
GSK3B P49841 1/20 0.45
PTGS2 P35354 1/20 0.41
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL6175337 0.89 MAPK14 (0.50) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4348734 0.84 MAPK14 (0.63) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL6177634 0.81 MAPK14 (0.49) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL6176484 0.80 MAPK14 (0.53) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4348737 0.79 MAPK14 (0.49) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4338046 0.78 MAPK14 (0.65) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL6176488 0.77 MAPK14 (0.45) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL6179804 0.77 MAPK14 (0.63) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL6176832 0.72 MAPK14 (0.63) MAPK14CSNK1DCSNK1E
SCHEMBL6179169 0.72 MAPK14 (0.63) MAPK14CSNK1DCSNK1E

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-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
EP-1142890-A1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-10-10 EP disclosed