SCHEMBL3845583

SCHEMBL3845583

CCOC(=O)c1ccc(-n2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cc32)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
ATM Q13315 9/20 0.37
ABL1 P00519 3/20 0.37
CSF1R P07333 3/20 0.37
LYN P07948 3/20 0.37
TGFBR1 P36897 3/20 0.37
TGFBR2 P37173 3/20 0.37
SIK1 P57059 3/20 0.37
SIK2 Q9H0K1 3/20 0.37
SIK3 Q9Y2K2 3/20 0.37
PRKAB2 O43741 2/20 0.37
PRKAG1 P54619 2/20 0.37
PRKAA1 Q13131 2/20 0.37
NPC1 O15118 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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 0.88 FGFR1 (0.40) ATMABL1CSF1RLYNTGFBR1
SCHEMBL3845007 0.83 NPC1 (0.44) PKMATMNPC1KDM4EHPGD
SCHEMBL3846067 0.82 SORT1 (0.39) ATMNPC1HPGDALDH1A1POLB
SCHEMBL3846919 0.80 NPC1 (0.43) PKMNPC1KDM4EHPGDTSHR
SCHEMBL3846776 0.79 ATM (0.41) ATMHPGDALDH1A1HTT
SCHEMBL3851820 0.76 PIK3CD (0.40) PKMTGFBR1NPC1KDM4EHPGD
SCHEMBL3849232 0.75 SIK1 (0.47) PKMATMSIK1SIK2SIK3
SCHEMBL3848964 0.75 CAMKK1 (0.39) PKMNPC1KDM4EHPGDTSHR
SCHEMBL3848140 0.73 FGFR1 (0.33) ATMABL1CSF1RLYNTGFBR1
SCHEMBL3845010 0.71 NPC1 (0.37) ATMABL1CSF1RLYNSIK1

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