SCHEMBL3846777

SCHEMBL3846777

Fc1ccc(-n2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)C5C=CC=CC5)c4)cc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 10/20 0.36
FGFR1 P11362 3/20 0.32
DRD2 P14416 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
MAPK10 P53779 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
FLT1 P17948 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR4 P22455 1/20 0.31
FGFR3 P22607 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
FRS2 Q8WU20 1/20 0.31

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
SCHEMBL3848140 0.88 FGFR1 (0.33) ATMFGFR1
SCHEMBL5852256 0.85 ATM (0.32) ATMFGFR1ALDH1A1HPGDMAPK1
SCHEMBL3846776 0.81 ATM (0.41) ATMFGFR1NR3C1PGRALDH1A1
SCHEMBL3845010 0.80 NPC1 (0.37) ATMFGFR1ALDH1A1
SCHEMBL3847045 0.79 MEN1 (0.39) ALDH1A1HPGDMAPK1MAPK10
SCHEMBL3846716 0.78 POLB (0.33)
SCHEMBL3847150 0.76 FGFR1 (0.33) FGFR1
SCHEMBL3845877 0.74
SCHEMBL3846738 0.73 ACHE (0.39) ALDH1A1HPGDMAPK1
SCHEMBL3850336 0.72 ALDH1A1 (0.34) ALDH1A1

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