SCHEMBL5202360

SCHEMBL5202360

CSc1nc(OCc2ccc(F)cc2CN)c(Cl)c(=O)n1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.37
LMNA P02545 1/20 0.35
MAPK11 Q15759 1/20 0.33
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
SLC6A4 P31645 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPKAPK2 P49137 2/20 0.31
P2RX3 P56373 2/20 0.31

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
SCHEMBL5202334 0.89 MAPK14 (0.44) MAPK14MAPK11MAPKAPK2
SCHEMBL5206635 0.88 MAPK14 (0.38) MAPK14
SCHEMBL5209133 0.88 MAPK14 (0.41) MAPK14LMNAMAPK11HTR2AHTR2C
SCHEMBL5233006 0.83 MAPK14 (0.39) MAPK14LMNAMAPK11P2RX3
SCHEMBL5204954 0.77 MAPK14 (0.44) MAPK14
SCHEMBL5237979 0.76 MAPK14 (0.49) MAPK14MAPK11MAPKAPK2
SCHEMBL5202726 0.76 MAPK14 (0.45) MAPK14
SCHEMBL5267652 0.75 MAPK14 (0.54) MAPK14
SCHEMBL5241688 0.75 MAPK14 (0.42) MAPK14MAPK11MAPKAPK2
SCHEMBL5209385 0.74 MAPK14 (0.44) MAPK14MAPK11MAPKAPK2

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-1802590-A1 SUBSTITUTED N-ALKYLPYRIMIDINONES Pharmacia & Upjohn Company LLC (US) 2007-07-04 EP disclosed
WO-2006040666-A1 SUBSTITUTED N-ALKYLPYRIMIDINONES PHARMACIA & UPJOHN COMPANY LLC (US) 2006-04-20 WO disclosed