SCHEMBL28313559

SCHEMBL28313559

CC#Cc1c[nH]c(=O)[nH]c1=O.CC(N)Cn1cnc2c(N)ncnc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.47
▸ ADORA1 P30542 4/20 0.47
▸ AHCY P23526 4/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP3A4 P08684 6/20 0.42
▸ PI4KA P42356 2/20 0.41
▸ PI4K2B Q8TCG2 2/20 0.41
▸ PI4K2A Q9BTU6 2/20 0.41
▸ PI4KB Q9UBF8 2/20 0.41
▸ ADORA2B P29275 1/20 0.40
▸ CYP2D6 P10635 6/20 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
SCHEMBL8815696 0.77 ADORA2A (0.75) ADORA2AADORA1AHCYALDH1A1CYP3A4
SCHEMBL25861 0.77 ADORA2A (0.75) ADORA2AADORA1AHCYALDH1A1CYP3A4
SCHEMBL17162883 0.69 ADORA2A (0.73) ADORA2AADORA1AHCYALDH1A1CYP3A4
SCHEMBL29135599 0.69 ADORA2A (0.73) ADORA2AADORA1AHCYALDH1A1CYP3A4
SCHEMBL16753032 0.69 DPYD (0.31) —
SCHEMBL29135598 0.69 ADORA2A (0.73) ADORA2AADORA1AHCYALDH1A1CYP3A4
SCHEMBL17162884 0.69 ADORA2A (0.73) ADORA2AADORA1AHCYALDH1A1CYP3A4
Adenine SCHEMBL28176496 0.69 PI4KA (0.52) ALDH1A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL12620928 0.68 ADORA2A (0.77) ADORA2AADORA1AHCYALDH1A1CYP3A4
SCHEMBL13296 0.68 DPYD (0.59) ALDH1A1

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-110177544-A Exosomes for delivering therapeutic agents 普尔泰克健康有限公司 2019-08-27 — — CN disclosed
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