SCHEMBL5256155

SCHEMBL5256155

Brc1cnc2[nH]c(-c3ccc(NCc4ccsc4)cc3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
DYRK1B Q9Y463 2/20 0.35
HPSE Q9Y251 2/20 0.35
PIM1 P11309 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
PNP P00491 1/20 0.34
RAB9A P51151 2/20 0.33
KMT2A Q03164 1/20 0.33
PTGS2 P35354 2/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AURKA O14965 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 SCHEMBL4844349 0.91 HPSE (0.36) NPC1HPSEPTGS2MMP2MMP9
SCHEMBL4834899 0.84 MMP2 (0.43) NPC1HPSERAB9AKMT2APTGS2
SCHEMBL5259906 0.82 LMNA (0.43) NPC1HPSERAB9AKMT2ASMN1; SMN2
SCHEMBL5257452 0.82 NPC1 (0.34) NPC1HPSEPIM1RAB9AKMT2A
SCHEMBL5256810 0.80 ABL1 (0.44) NPC1RAB9AKMT2APTGS2KDM4E
SCHEMBL5255731 0.80 TRPM5 (0.46) NPC1DYRK1BHPSEDYRK1ARAB9A
SCHEMBL5259598 0.80 FYN (0.38) NPC1DYRK1BHPSEPIM1DYRK1A
SCHEMBL5258985 0.80 MAOB (0.46) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL4834208 0.80 HDAC6 (0.43) HPSEKMT2AKDM4EALDH1A1HPGD
SCHEMBL4843978 0.80 NPC1 (0.53) NPC1DYRK1BHPSEDYRK1ARAB9A

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