SCHEMBL21362233

SCHEMBL21362233

Cn1[nH]c(=O)c2c(N)ncnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.43
LRRK2 Q5S007 4/20 0.41
ADORA2A P29274 4/20 0.41
ADORA1 P30542 4/20 0.41
PI4KB Q9UBF8 3/20 0.40
PI4KA P42356 2/20 0.40
PI4K2B Q8TCG2 2/20 0.40
PI4K2A Q9BTU6 2/20 0.40
ATG7 O95352 1/20 0.39
EGFR P00533 5/20 0.38
PIK3CD O00329 4/20 0.38
ABL1 P00519 4/20 0.38
HCK P08631 4/20 0.38
SRC P12931 4/20 0.38
KDR P35968 4/20 0.38
PIK3CA P42336 4/20 0.38
PIK3CB P42338 4/20 0.38
MTOR P42345 4/20 0.38
PIK3CG P48736 4/20 0.38
EPHB4 P54760 4/20 0.38

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
SCHEMBL21372346 0.81 ALDH1A1 (0.48) DYRK1AADORA2AADORA1PI4KBPI4KA
SCHEMBL21362197 0.79 ATG7 (0.39) DYRK1ALRRK2ADORA2AADORA1PI4KB
SCHEMBL21372047 0.78 PI4KA (0.41) DYRK1API4KBPI4KAPI4K2BPI4K2A
SCHEMBL24504225 0.76 YTHDC1 (0.44) ADORA2AADORA1EGFRPIK3CDSRC
SCHEMBL21372141 0.70 PI4KA (0.35) DYRK1AADORA2AADORA1PI4KBPI4KA
SCHEMBL10371037 0.68 LRRK2 (0.49) DYRK1ALRRK2ADORA2AADORA1PIK3CD
SCHEMBL12391467 0.67 ADORA2A (0.43) DYRK1ALRRK2ADORA2AADORA1PI4KB
SCHEMBL4707558 0.66 KDM4E (0.39)
SCHEMBL30057955 0.66 KDM4E (0.39)
SCHEMBL24500019 0.65 KDM5B (0.32) ADORA2AADORA1PI4KBPI4KAPI4K2B

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-3765474-B1 CYCLOPENTANE-BASED MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) PFIZER (US) 2022-06-15 EP disclosed
WO-2019175776-A1 CYCLOPENTANE-BASED MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) PFIZER INC. (US) 2019-09-19 WO disclosed