SCHEMBL31440959

SCHEMBL31440959

COc1ccc2[nH]cc(Cn3cc(-c4cc(-c5cccc(C#N)c5C)nc(N)n4)nn3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 20/20 1.00
▸ ADORA2B P29275 20/20 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
SCHEMBL31440942 0.94 ADORA2B (1.00) ADORA2AADORA2B
SCHEMBL31440933 0.93 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL31440945 0.92 ADORA2A (0.85) ADORA2AADORA2B
SCHEMBL31440885 0.91 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL31440891 0.91 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL31440992 0.91 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL31440982 0.90 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL31440983 0.90 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL31440961 0.90 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL31440943 0.87 ADORA2A (1.00) ADORA2AADORA2B

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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