SCHEMBL3849709

SCHEMBL3849709

COc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)C5C=CC=CC5)nc4-c4ccc(F)cc4)cn23)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.38
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
FYN P06241 4/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
RIPK2 O43353 1/20 0.33
AKT1 P31749 2/20 0.32
AKT2 P31751 2/20 0.32
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
TGFBR1 P36897 2/20 0.31
MAPK14 Q16539 1/20 0.31
PTGS2 P35354 1/20 0.30
TGFBR2 P37173 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
SCHEMBL3846112 0.90 FLT3 (0.34) FLT3FYNAKT1AKT2TGFBR1
SCHEMBL3850400 0.90 FLT3 (0.35) FLT3FYNAKT1AKT2TGFBR1
SCHEMBL3846737 0.90 MKNK1 (0.36) FLT3FYNAKT1AKT2TGFBR1
SCHEMBL3849638 0.90 FYN (0.35) FYNPIK3CAMTORMAPK14
SCHEMBL3845523 0.90 FLT3 (0.33) FLT3AKT1AKT2TGFBR1TGFBR2
SCHEMBL3847040 0.89 AKT1 (0.31) FLT3AKT1AKT2
SCHEMBL3846723 0.89 KDR (0.39) FLT3DYRK1AIRAK4CDK2TGFBR1
SCHEMBL3846452 0.88 FLT3 (0.36) FLT3AKT1AKT2TGFBR1
SCHEMBL3846456 0.88 FLT3 (0.42) FLT3AKT1AKT2TGFBR1PTGS2
SCHEMBL3845555 0.88 TGFBR1 (0.33) FLT3AKT1AKT2TGFBR1TGFBR2

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