SCHEMBL7141128

SCHEMBL7141128

COC(=O)C(=O)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.62
MAPK13 O15264 6/20 0.46
MAPK12 P53778 6/20 0.46
MAPK11 Q15759 6/20 0.46
GCGR P47871 3/20 0.46
ALOX5 P09917 2/20 0.46
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2C P28335 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
HTR3A P46098 1/20 0.40

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
SCHEMBL7141123 0.88 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6180300 0.85 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6177151 0.85 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6076824 0.83 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6076504 0.83 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7170273 0.83 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6176087 0.82 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6178365 0.82 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11ADORA2A
SCHEMBL6177501 0.82 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7139723 0.82 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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