SCHEMBL7494401

SCHEMBL7494401

CCOC(=O)C(=O)N1CCn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2N1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
MAPK14 Q16539 16/20 0.41
KCNH2 Q12809 1/20 0.39
MAPK11 Q15759 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
SRC P12931 1/20 0.38
BRAF P15056 1/20 0.38
KDR P35968 1/20 0.38
GCGR P47871 1/20 0.38

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
SCHEMBL7494396 0.88 MAPK14 (0.44) MAPK14KCNH2MAPK11CSNK1A1CSNK1D
SCHEMBL7495111 0.85 MAPK14 (0.45) ALOX5MAPK14KCNH2MAPK11CSNK1A1
SCHEMBL7496496 0.84 MAPK14 (0.48) MAPK14KCNH2MAPK11CSNK1A1CSNK1D
SCHEMBL7488387 0.84 MAPK14 (0.48) MAPK14KCNH2MAPK11CSNK1A1CSNK1D
SCHEMBL7492768 0.83 MAPK14 (0.49) MAPK14KCNH2MAPK11CSNK1A1CSNK1D
Hydrochloric Acid SCHEMBL7495189 0.83 MAPK14 (0.48) MAPK14KCNH2MAPK11CSNK1A1CSNK1D
SCHEMBL7491594 0.83 MAPK14 (0.43) MAPK14KCNH2MAPK11CSNK1A1CSNK1D
SCHEMBL7491641 0.83 MAPK14 (0.43) MAPK14KCNH2MAPK11CSNK1A1CSNK1D
SCHEMBL7492880 0.83 MAPK14 (0.43) MAPK14KCNH2MAPK11CSNK1A1CSNK1D
SCHEMBL7498076 0.83 MAPK14 (0.43) MAPK14KCNH2MAPK11CSNK1A1CSNK1D

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-0686156-B1 PYRAZOLITRIAZINES WITH INTERLEUKIN-1 AND TUMOUR NECROSIS FACTOR INHIBITORY ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-07-17 EP disclosed
EP-0686156-A1 PYRAZOLITRIAZINES WITH INTERLEUKIN-1 AND TUMOUR NECROSIS FACTOR INHIBITORY ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-12-13 EP disclosed
WO-1994019350-A1 PYRAZOLITRIAZINES WITH INTERLEUKIN-1 AND TUMOUR NECROSIS FACTOR INHIBITORY ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed