SCHEMBL3846776

SCHEMBL3846776

Fc1ccc(-n2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 9/20 0.41
HTT P42858 2/20 0.39
FGFR1 P11362 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPK10 P53779 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
NR3C1 P04150 2/20 0.38
PGR P06401 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
SCHEMBL3848137 0.85 FGFR1 (0.40) ATMFGFR1
SCHEMBL5852255 0.81 SRC (0.38) ATMHTTFGFR1ALDH1A1HPGD
SCHEMBL3846777 0.81 ATM (0.36) ATMHTTFGFR1ALDH1A1HPGD
SCHEMBL3845583 0.79 PKM (0.43) ATMHTTALDH1A1HPGD
SCHEMBL1750818 0.79 NR3C1 (0.38) HTTALDH1A1HPGDMAPK1NR3C1
SCHEMBL3845007 0.77 NPC1 (0.44) ATMALDH1A1HPGD
SCHEMBL3846067 0.76 SORT1 (0.39) ATMALDH1A1HPGD
SCHEMBL3846564 0.74 NPC1 (0.39) ATMALDH1A1HPGDMAPK1
SCHEMBL3847041 0.73 MEN1 (0.46) ALDH1A1HPGD
SCHEMBL15639707 0.73 FGFR1 (0.46) ATMHTTFGFR1ALDH1A1HPGD

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