SCHEMBL29494933

SCHEMBL29494933

CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(Cc2ccc(N)c(I)c2)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 16/20 1.00
▸ ADORA2A P29274 15/20 1.00
▸ ADORA3 P0DMS8 3/20 1.00
▸ ADORA1 P30542 2/20 0.73

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
SCHEMBL14564551 0.89 ADORA2B (1.00) ADORA2BADORA2AADORA3ADORA1
SCHEMBL7235224 0.86 ADORA2B (1.00) ADORA2BADORA2AADORA3ADORA1
Aminomethylamide SCHEMBL9596537 0.82 ADORA2A (0.89) ADORA2BADORA2AADORA3ADORA1
SCHEMBL10728902 0.79 ADORA2A (0.65) ADORA2BADORA2AADORA3ADORA1
SCHEMBL10723870 0.79 ADORA2A (0.81) ADORA2BADORA2AADORA3ADORA1
SCHEMBL7228457 0.79 ADORA2B (1.00) ADORA2BADORA2AADORA3ADORA1
SCHEMBL10750202 0.78 ADORA2A (0.73) ADORA2BADORA2AADORA3ADORA1
SCHEMBL10849351 0.78 ADORA2A (0.80) ADORA2BADORA2AADORA3ADORA1
SCHEMBL10723882 0.78 ADORA2A (0.80) ADORA2BADORA2AADORA3ADORA1
SCHEMBL10852013 0.78 ADORA2B (0.72) ADORA2BADORA2AADORA3ADORA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11857600-B2 GPCR heteromer inhibitors and uses thereof GPCR THERAPEUTICS, INC. (KR) 2024-01-02 — — US disclosed
US-11376269-B2 Pharmaceutical compositions for the treatment of chemoresistant acute myeloid leukemia (AML) INSERM (FR) 2022-07-05 — — US disclosed
EP-3744348-B1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHEMORESISTANT ACUTE MYELOID LEUKEMIA (AML) INST NAT SANTE RECH MED (FR) 2022-03-23 — — EP disclosed
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