SCHEMBL29073531

SCHEMBL29073531

CNC(=O)[C@@H]1OC(n2cnc3c(NCc4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)nc32)C(O)C1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.69
ADORA2A P29274 6/20 0.69
ADORA1 P30542 6/20 0.69
ADORA2B P29275 5/20 0.69
MAPK1 P28482 3/20 0.59
TSHR P16473 3/20 0.59
MAPT P10636 2/20 0.59
TP53 P04637 2/20 0.59
ALDH1A1 P00352 2/20 0.59
BLM P54132 2/20 0.59
PMP22 Q01453 2/20 0.59
CYP3A4 P08684 2/20 0.59
NFKB1 P19838 2/20 0.59
NPC1 O15118 1/20 0.59
GMNN O75496 1/20 0.59
LMNA P02545 1/20 0.59
THRB P10828 1/20 0.59
HPGD P15428 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59

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
SCHEMBL24601051 1.00 ADORA3 (0.69) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL29762170 1.00 ADORA3 (0.69) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL29073529 1.00 ADORA3 (0.69) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL29073811 0.96 ADORA3 (0.72) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL26628529 0.96 ADORA3 (0.72) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL24601074 0.96 ADORA3 (0.72) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL29762338 0.96 ADORA3 (0.72) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL29073808 0.96 ADORA3 (0.72) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL24600666 0.94 ADORA3 (0.77) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL24601075 0.92 ADORA3 (0.80) ADORA3ADORA2AADORA1ADORA2BMAPK1

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-116783196-A A3 adenosine receptor agonists, methods of making and uses thereof 浙江春禾医药科技有限公司 2023-09-19 CN claimed