SCHEMBL3847844

SCHEMBL3847844

CC(C)(CCn1cnc2cc(-c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)nc3-c3c(F)cccc3F)ccc21)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.33
MAPK14 Q16539 4/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 2/20 0.32
NR1I2 O75469 1/20 0.32
ALOX5AP P20292 2/20 0.32
HDAC1 Q13547 2/20 0.32
EGLN3 Q9H6Z9 1/20 0.31
F10 P00742 1/20 0.31
FGFR1 P11362 1/20 0.31
HDAC8 Q9BY41 1/20 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
SCHEMBL3856088 0.94 MAPK14 (0.39) LTB4RMAPK14
SCHEMBL5852284 0.85
SCHEMBL5852282 0.81 HCAR3 (0.33) MAPK14ALOX5AP
SCHEMBL3856087 0.79 PRPS1 (0.34) MAPK14
SCHEMBL3853851 0.76 MAPK14 (0.36) MAPK14
SCHEMBL4717283 0.75 KDM2B (0.38) KMT2APPARGF10
SCHEMBL3854592 0.73 FGFR1 (0.35) FGFR1
SCHEMBL3847718 0.71 MAPK14 (0.46) MAPK14ALOX5AP
SCHEMBL3844886 0.69 MAP4K4 (0.36) KMT2A
SCHEMBL3856284 0.68 KDM2B (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
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
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed