SCHEMBL7495111

SCHEMBL7495111

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.45
HTR3A P46098 1/20 0.43
MAPK11 Q15759 4/20 0.42
KCNH2 Q12809 1/20 0.42
SRC P12931 2/20 0.41
BRAF P15056 2/20 0.41
KDR P35968 2/20 0.41
MAPK13 O15264 2/20 0.40
MAPK12 P53778 2/20 0.40
ALOX5 P09917 1/20 0.40
GCGR P47871 1/20 0.40
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
EGFR P00533 1/20 0.38
RAF1 P04049 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 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
SCHEMBL7498076 0.89 MAPK14 (0.43) MAPK14HTR3AMAPK11KCNH2SRC
SCHEMBL7493925 0.89 MAPK14 (0.43) MAPK14HTR3AMAPK11KCNH2SRC
SCHEMBL7488387 0.88 MAPK14 (0.48) MAPK14HTR3AMAPK11KCNH2SRC
SCHEMBL7496496 0.88 MAPK14 (0.48) MAPK14HTR3AMAPK11KCNH2SRC
SCHEMBL7492768 0.88 MAPK14 (0.49) MAPK14HTR3AMAPK11KCNH2SRC
Hydrochloric Acid SCHEMBL7495189 0.87 MAPK14 (0.48) MAPK14HTR3AMAPK11KCNH2SRC
SCHEMBL7492880 0.87 MAPK14 (0.43) MAPK14HTR3AMAPK11KCNH2SRC
SCHEMBL7494396 0.87 MAPK14 (0.44) MAPK14MAPK11KCNH2SRCBRAF
SCHEMBL7492895 0.86 MAPK14 (0.42) MAPK14HTR3AMAPK11KCNH2SRC
SCHEMBL7495724 0.86 MAPK14 (0.47) MAPK14MAPK11KCNH2SRCBRAF

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
EP-0686156-B1 PYRAZOLITRIAZINES WITH INTERLEUKIN-1 AND TUMOUR NECROSIS FACTOR INHIBITORY ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-07-17 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