SCHEMBL29073496

SCHEMBL29073496

CNC(=O)C1OC(n2cnc3c(NCc4ccccc4)nc(-c4cncc(C)c4)nc32)C(O)C1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.70
ADORA2A P29274 6/20 0.70
ADORA1 P30542 6/20 0.70
ADORA2B P29275 5/20 0.70
MAPK1 P28482 5/20 0.60
MAPT P10636 3/20 0.60
TP53 P04637 2/20 0.60
HTR2C P28335 2/20 0.60
HTR2B P41595 2/20 0.60
ABCG2 Q9UNQ0 2/20 0.60
CYP1A2 P05177 2/20 0.60
PPARG P37231 1/20 0.60
PPARD Q03181 1/20 0.60
CYP3A4 P08684 3/20 0.59
LMNA P02545 2/20 0.59
BLM P54132 2/20 0.59
PMP22 Q01453 2/20 0.59
CYP2D6 P10635 2/20 0.59
PKM P14618 2/20 0.59
TSHR P16473 2/20 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
SCHEMBL24601053 1.00 ADORA3 (0.70) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL29073499 1.00 ADORA3 (0.70) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL29762223 0.95 ADORA3 (0.63) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL26628532 0.94 ADORA3 (0.61) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL30850628 0.94 ADORA3 (0.61) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL29073631 0.94 ADORA3 (0.63) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL29762354 0.94 ADORA3 (0.63) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL24600664 0.94 ADORA3 (0.63) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL29073633 0.94 ADORA3 (0.63) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL26628474 0.94 ADORA3 (0.63) 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