SCHEMBL24201476

SCHEMBL24201476

O=C(OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(F)c4)ncnc32)[C@H](O)[C@@H]1O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNPH1 O43598 1/20 0.65
ADORA3 P0DMS8 11/20 0.63
TP53 P04637 1/20 0.63
SLC29A1 Q99808 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
NT5E P21589 1/20 0.61
P2RX3 P56373 1/20 0.61
P2RX2 Q9UBL9 1/20 0.61
ADORA2A P29274 3/20 0.60
ADORA1 P30542 2/20 0.60
ADORA2B P29275 1/20 0.60

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
SCHEMBL918592 0.93 DNPH1 (0.74) DNPH1ADORA3TP53SLC29A1TDP1
SCHEMBL24201342 0.89 DNPH1 (0.63) DNPH1ADORA3TP53SLC29A1TDP1
SCHEMBL1389703 0.85 DNPH1 (0.63) DNPH1ADORA3TP53SLC29A1TDP1
SCHEMBL1389413 0.85 ADORA3 (0.64) DNPH1ADORA3TP53SLC29A1TDP1
SCHEMBL14689162 0.85 DNPH1 (0.83) DNPH1ADORA3TP53SLC29A1TDP1
SCHEMBL639152 0.84 ADORA3 (0.82) ADORA3TP53SLC29A1TDP1ADORA2A
SCHEMBL17824474 0.84 ADORA3 (0.82) ADORA3TP53SLC29A1TDP1ADORA2A
SCHEMBL639151 0.84 ADORA3 (0.82) ADORA3TP53SLC29A1TDP1ADORA2A
SCHEMBL30627968 0.84 ADORA3 (0.82) ADORA3TP53SLC29A1TDP1ADORA2A
SCHEMBL17825910 0.84 ADORA3 (0.82) ADORA3TP53SLC29A1TDP1ADORA2A

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
EP-3939988-A1 PHARMACEUTICAL COMPOSITION COMPRISING NOVEL AZOLOPYRIMIDINE HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2022-01-19 EP disclosed