SCHEMBL29779690

SCHEMBL29779690

Cc1ccnc2c(C(=O)O)nsc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
KDM4E B2RXH2 3/20 0.36
ASPH Q12797 1/20 0.36
KDM8 Q8N371 1/20 0.36
MYC P01106 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
AGER Q15109 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33

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
SCHEMBL10200847 0.76 CCR1 (0.45) CCR1CCR5CCR8L3MBTL1CYP1A2
SCHEMBL19698918 0.75 ALDH1A1 (0.42) KDM4EL3MBTL1ALDH1A1MAPTTSHR
SCHEMBL29779683 0.73 KDM4E (0.43) KDM4EL3MBTL1ALDH1A1MAPTCYP3A4
SCHEMBL19554482 0.70 KDM4E (0.53) KDM4EALDH1A1MAPTTSHRRAB9A
SCHEMBL7199668 0.70 KDM4E (0.47) CCR1CCR5CCR8KDM4EASPH
SCHEMBL9684174 0.68 KDM4E (0.50) CCR1CCR5CCR8KDM4EASPH
SCHEMBL30049082 0.68 KDM4E (0.50) CCR1CCR5CCR8KDM4EASPH
SCHEMBL1541111 0.68 KDM4E (0.46) CCR1CCR5CCR8KDM4EASPH
SCHEMBL14284234 0.68 KDM4E (0.46) KDM4EASPHKDM8MYCL3MBTL1
SCHEMBL23500420 0.67 MYC (0.46) KDM4EASPHKDM8MYCL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311902-B Substituted imidazo [1,2-b ] pyridazines, imidazo [1,5-b ] pyridazines, related compounds, and uses thereof BIAL研发投资股份有限公司 2022-07-15 CN disclosed