SCHEMBL3846438

SCHEMBL3846438

COc1ccc(-c2cnc3ccc(-c4c[nH]nc4-c4ccc(-c5ccccc5C(=O)O)cc4)cn23)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 3/20 0.45
FYN P06241 3/20 0.44
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TGFBR1 P36897 5/20 0.41
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GFER P55789 1/20 0.39
RIPK2 O43353 1/20 0.39
TGFBR2 P37173 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
LPAR1 Q92633 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3851429 0.88 MAP4K4 (0.43) FYNATMALDH1A1KDM4ECLK1
SCHEMBL3850019 0.83 L3MBTL1 (0.41) BRS3FYNATML3MBTL1ALDH1A1
SCHEMBL13874620 0.81 FYN (0.44) BRS3FYNATML3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL3847766 0.81 FLT3 (0.52) FYNCLK1DYRK1ARIPK2PRMT5
SCHEMBL3849352 0.76 L3MBTL1 (0.42) FYNATML3MBTL1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3854393 0.76 FLT3 (0.42) FYNATMALDH1A1KDM4ETGFBR1
SCHEMBL3855071 0.74 CLK1 (0.52) CLK1DYRK1AMEN1KMT2A
SCHEMBL13874137 0.74 FLT3 (0.51) FYNTGFBR1CLK1DYRK1APRMT5
Hydrochloric Acid SCHEMBL3851251 0.74 RIPK2 (0.44) FYNCLK1DYRK1ARIPK2PRMT5
Hydrochloric Acid SCHEMBL3856691 0.73 FLT3 (0.50) FYNTGFBR1CLK1DYRK1APRMT5

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