SCHEMBL12290752

SCHEMBL12290752

Fc1ccc(-c2n[nH]c3nc(-c4ccccc4)ccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 3/20 0.53
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
ALK Q9UM73 2/20 0.45
ADORA2A P29274 2/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
GRM2 Q14416 1/20 0.42
MAP4K1 Q92918 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALPL P05186 1/20 0.41
GAA P10253 1/20 0.41
IDO1 P14902 1/20 0.41
HPGD P15428 1/20 0.41
TTK P33981 1/20 0.41
MAPK10 P53779 1/20 0.41

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
SCHEMBL12035265 0.91 GSK3A (0.52) MAP2K4ALDH1A1SMN1; SMN2GSK3AGSK3B
SCHEMBL11939378 0.87 MAP2K4 (0.47) MAP2K4ALDH1A1SMN1; SMN2GSK3AGSK3B
SCHEMBL12054045 0.83 ALK (0.41) MAP2K4ALDH1A1SMN1; SMN2GSK3AGSK3B
SCHEMBL4352331 0.80 MAP2K4 (0.48) MAP2K4GSK3AGSK3BMKNK2TTK
SCHEMBL11939489 0.79 FGFR4 (0.46) MAP2K4GSK3AGSK3BALKMAPT
SCHEMBL4348258 0.79 MEN1 (0.47) ALDH1A1SMN1; SMN2GSK3AGSK3BADORA2A
SCHEMBL4344680 0.77 JAK3 (0.48) ALDH1A1SMN1; SMN2MAPTKDM4ETTK
SCHEMBL12288537 0.76 GSK3B (0.42) MAP2K4ALDH1A1GSK3AGSK3BALK
SCHEMBL13329926 0.76 AURKB (0.51) ALDH1A1GSK3AGSK3BALKADORA2A
SCHEMBL30675639 0.76 AURKB (0.51) ALDH1A1GSK3AGSK3BALKADORA2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364702-A2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof Emory University (US) 2011-09-14 EP disclosed
WO-2008005877-A2 INHIBITORS OF C-KIT AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-01-10 WO disclosed