SCHEMBL3847038

SCHEMBL3847038

NCCCOc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.38
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
TGFBR1 P36897 6/20 0.34
FYN P06241 2/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
PRMT5 O14744 2/20 0.32
WDR77 Q9BQA1 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE10A Q9Y233 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
SCHEMBL3849706 0.87 FLT3 (0.46) FLT3AKT1AKT2CLK1DYRK1A
SCHEMBL3852515 0.86 L3MBTL1 (0.40) FLT3CLK1DYRK1ATGFBR1FYN
SCHEMBL3850397 0.86 FLT3 (0.43) FLT3AKT1AKT2TGFBR1FYN
SCHEMBL3847040 0.84 AKT1 (0.31) FLT3AKT1AKT2
SCHEMBL3849015 0.84 FAAH (0.39) TGFBR1
SCHEMBL3846734 0.84 MKNK1 (0.44) FLT3AKT1AKT2TGFBR1FYN
SCHEMBL3846448 0.84 FLT3 (0.44) FLT3AKT1AKT2TGFBR1FYN
SCHEMBL3848924 0.83 FYN (0.41) FYNMAPK14
SCHEMBL3845957 0.83 FLT3 (0.41) FLT3AKT1AKT2TGFBR1
SCHEMBL3854652 0.83 GABRA1 (0.37) FLT3AKT1AKT2CLK1DYRK1A

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