SCHEMBL3854300

SCHEMBL3854300

COc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(OCOCC[Si](C)(C)C)cc4)cn23)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
FYN P06241 8/20 0.36
RIPK2 O43353 1/20 0.35
DGAT1 O75907 1/20 0.33
SLC2A1 P11166 1/20 0.33
FLT3 P36888 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
SRC P12931 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
MET P08581 1/20 0.32

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
SCHEMBL3854263 0.89 TGFBR1 (0.35)
SCHEMBL3846767 0.85 FYN (0.51) CLK1DYRK1AFYNRIPK2FLT3
SCHEMBL3849706 0.85 FLT3 (0.46) CLK1DYRK1AFYNRIPK2FLT3
SCHEMBL3845403 0.82 TGFBR1 (0.40) CLK1DYRK1AFYNRIPK2MEN1
SCHEMBL3850019 0.81 L3MBTL1 (0.41) CLK1DYRK1AFYNRIPK2MEN1
SCHEMBL3849352 0.80 L3MBTL1 (0.42) CLK1DYRK1AFYNRIPK2MEN1
SCHEMBL3847038 0.78 FLT3 (0.38) CLK1DYRK1AFYNFLT3PRMT5
SCHEMBL3848151 0.77 ALDH1A1 (0.38) SLC2A1PIK3CAMTOR
SCHEMBL3852515 0.77 L3MBTL1 (0.40) CLK1DYRK1AFYNFLT3
SCHEMBL3852751 0.76 DGAT1 (0.34) DGAT1MEN1KMT2A

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