SCHEMBL5852282

SCHEMBL5852282

CC(n1cnc2cc(-c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)nc3-c3c(F)cccc3F)ccc21)C(C)(C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.33
MAPK14 Q16539 2/20 0.31
BDKRB1 P46663 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX5AP P20292 1/20 0.30

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
SCHEMBL3853851 0.93 MAPK14 (0.36) MAPK14BDKRB1CYP3A4
SCHEMBL3847844 0.81 LTB4R (0.33) MAPK14ALOX5AP
SCHEMBL3856088 0.76 MAPK14 (0.39) MAPK14
SCHEMBL3854592 0.73 FGFR1 (0.35)
SCHEMBL3847718 0.70 MAPK14 (0.46) MAPK14ALOX5AP
SCHEMBL4717283 0.69 KDM2B (0.38)
SCHEMBL3853393 0.68 MAPK14 (0.32) MAPK14
SCHEMBL5852284 0.68
SCHEMBL3844886 0.68 MAP4K4 (0.36) CYP3A4
SCHEMBL3848408 0.68 TGFBR1 (0.36) MAPK14

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
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed