SCHEMBL31440937

SCHEMBL31440937

Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3c[nH]c4cc(OC(C)C)ccc34)nn2)nc(N)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 20/20 1.00
▸ ADORA2A P29274 19/20 1.00

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
SCHEMBL31440933 0.94 ADORA2A (1.00) ADORA2BADORA2A
SCHEMBL31440942 0.93 ADORA2B (1.00) ADORA2BADORA2A
SCHEMBL31440973 0.89 ADORA2B (1.00) ADORA2BADORA2A
SCHEMBL31440901 0.88 ADORA2B (1.00) ADORA2BADORA2A
SCHEMBL31440958 0.88 ADORA2B (1.00) ADORA2BADORA2A
SCHEMBL31440982 0.88 ADORA2A (1.00) ADORA2BADORA2A
SCHEMBL31440948 0.87 ADORA2B (1.00) ADORA2BADORA2A
SCHEMBL31440894 0.87 ADORA2B (1.00) ADORA2BADORA2A
SCHEMBL31440959 0.86 ADORA2A (1.00) ADORA2BADORA2A
SCHEMBL31440943 0.85 ADORA2A (1.00) ADORA2BADORA2A

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-119490483-A 2-Aminopyrimidine compound derivative and application thereof 复旦大学 2025-02-21 — — CN disclosed
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