SCHEMBL5259598

SCHEMBL5259598

Brc1cnc2[nH]c(-c3ccc(NCc4ccoc4)cc3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.38
HPGD P15428 2/20 0.38
CLK4 Q9HAZ1 3/20 0.36
HPSE Q9Y251 2/20 0.35
DYRK1A Q13627 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
PIM1 P11309 1/20 0.35
DYRK2 Q92630 1/20 0.35
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 1/20 0.33
NPBWR1 P48145 1/20 0.33
BRAF P15056 1/20 0.33
KDR P35968 1/20 0.33
SYK P43405 1/20 0.33
TPH1 P17752 1/20 0.32
MMP2 P08253 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL4842251 0.91 TPH1 (0.37) FYNHPGDHPSENPBWR1BRAF
SCHEMBL4834899 0.84 MMP2 (0.43) HPGDHPSENPC1RAB9AKMT2A
SCHEMBL5259906 0.82 LMNA (0.43) HPSENPC1RAB9AKMT2AKDR
SCHEMBL5260119 0.80 ALDH1A1 (0.42) HPGDNPC1RAB9AKDM4EALDH1A1
SCHEMBL5256155 0.80 NPC1 (0.42) HPGDHPSEDYRK1ADYRK1BPIM1
SCHEMBL5257452 0.80 NPC1 (0.34) HPGDCLK4HPSEPIM1NPC1
SCHEMBL5258985 0.80 MAOB (0.46) HPGDNPC1RAB9AKMT2AKDM4E
SCHEMBL4843978 0.80 NPC1 (0.53) CLK4HPSEDYRK1ADYRK1BCLK1
SCHEMBL4834208 0.80 HDAC6 (0.43) HPGDHPSEKMT2AKDM4EALDH1A1
SCHEMBL5258008 0.79 HPSE (0.35) HPGDCLK4HPSENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100358893-C Certain novel imidazopyridines and uses thereof ASTRAZENECA AB (SE) 2008-01-02 CN claimed
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP claimed
CN-1684964-A Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2005-10-19 CN claimed
CN-100358893-C Certain novel imidazopyridines and uses thereof ASTRAZENECA AB (SE) 2008-01-02 CN disclosed
CN-1684964-A Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2005-10-19 CN disclosed