SCHEMBL3846767

SCHEMBL3846767

COc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(O)cc4)cn23)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.51
MKNK1 Q9BUB5 3/20 0.42
MKNK2 Q9HBH9 3/20 0.42
RIPK2 O43353 2/20 0.40
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
FLT3 P36888 2/20 0.36
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35

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
SCHEMBL3849706 0.91 FLT3 (0.46) FYNRIPK2CLK1DYRK1AFLT3
SCHEMBL3845403 0.89 TGFBR1 (0.40) FYNRIPK2CLK1DYRK1AMEN1
SCHEMBL3850019 0.88 L3MBTL1 (0.41) FYNRIPK2CLK1DYRK1AMEN1
SCHEMBL3846734 0.88 MKNK1 (0.44) FYNMKNK1MKNK2FLT3AKT1
SCHEMBL3849352 0.86 L3MBTL1 (0.42) FYNRIPK2CLK1DYRK1AMEN1
SCHEMBL3854300 0.85 CLK1 (0.37) FYNRIPK2CLK1DYRK1AMEN1
SCHEMBL3852272 0.83 TGFBR1 (0.41) FYNMKNK1MKNK2MAPT
SCHEMBL3848151 0.80 ALDH1A1 (0.38) TP53MAPT
SCHEMBL3846497 0.79 FYN (0.41) FYNMAPTFLT3
SCHEMBL3854652 0.78 GABRA1 (0.37) FYNCLK1DYRK1AMEN1KMT2A

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