SCHEMBL9394276

SCHEMBL9394276

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPK11 Q15759 4/20 0.39
KCNH2 Q12809 1/20 0.39
RIPK3 Q9Y572 1/20 0.39
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
SRC P12931 1/20 0.36
BRAF P15056 1/20 0.36
KDR P35968 1/20 0.36
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36
EGFR P00533 1/20 0.36
RAF1 P04049 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
GSK3B P49841 1/20 0.36

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
Hydrochloric Acid SCHEMBL7494463 0.99 MAPK14 (0.41) MAPK14L3MBTL1MAPK11KCNH2RIPK3
SCHEMBL7491064 0.88 MAPK14 (0.43) MAPK14MAPK11KCNH2RIPK3CSNK1A1
SCHEMBL7499669 0.87 MAPK14 (0.46) MAPK14MAPK11KCNH2RIPK3CSNK1A1
SCHEMBL7491823 0.86 MAPK14 (0.47) MAPK14MAPK11KCNH2RIPK3CSNK1A1
SCHEMBL7487399 0.86 MAPK14 (0.45) MAPK14MAPK11KCNH2RIPK3CSNK1A1
SCHEMBL9219500 0.86 THRB (0.42) MAPK14L3MBTL1MAPK11MAPK13MAPK12
SCHEMBL7492880 0.85 MAPK14 (0.43) MAPK14MAPK11KCNH2CSNK1A1CSNK1D
SCHEMBL7499637 0.85 MAPK14 (0.43) MAPK14MAPK11KCNH2RIPK3CSNK1A1
SCHEMBL7494396 0.85 MAPK14 (0.44) MAPK14MAPK11KCNH2RIPK3CSNK1A1
SCHEMBL7488387 0.85 MAPK14 (0.48) MAPK14MAPK11KCNH2CSNK1A1CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994019350-A1 PYRAZOLITRIAZINES WITH INTERLEUKIN-1 AND TUMOUR NECROSIS FACTOR INHIBITORY ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed