SCHEMBL30400469

SCHEMBL30400469

CC(C)(CC(=O)O)c1cccc(Cn2cc(-c3cc(-c4cccc(C#N)c4)nc(N)n3)nn2)c1F

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 19/20 0.44
▸ ADORA2B P29275 17/20 0.44
▸ ADORA1 P30542 1/20 0.41

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
SCHEMBL20417227 1.00 ADORA2A (0.44) ADORA2AADORA2BADORA1
SCHEMBL20436599 0.89 ADORA2A (0.49) ADORA2AADORA2BADORA1
SCHEMBL30401871 0.83 ADORA2A (0.56) ADORA2AADORA2BADORA1
SCHEMBL20416588 0.83 ADORA2A (0.56) ADORA2AADORA2BADORA1
SCHEMBL20400924 0.82 ADORA2A (0.50) ADORA2AADORA2BADORA1
SCHEMBL30401332 0.80 ADORA2A (0.50) ADORA2AADORA2BADORA1
SCHEMBL20416965 0.80 ADORA2A (0.50) ADORA2AADORA2BADORA1
SCHEMBL20416903 0.79 ADORA2A (0.54) ADORA2AADORA2BADORA1
SCHEMBL30402070 0.79 ADORA2A (0.54) ADORA2AADORA2BADORA1
SCHEMBL20436597 0.78 ADORA2A (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116768859-A Azolopyrimidines for the treatment of cancer related disorders 艾库斯生物科学有限公司 2023-09-19 — — CN disclosed
CN-110214012-B Azolopyrimidines for the treatment of cancer related disorders 艾库斯生物科学有限公司 2023-05-09 — — CN disclosed
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