SCHEMBL30401852

SCHEMBL30401852

CC(CC(=O)O)c1cccc(Cn2cc(-c3cc(-c4cccc(C#N)c4)nc(N)n3)nn2)n1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 17/20 0.46
▸ ADORA2B P29275 14/20 0.46
▸ ADORA1 P30542 2/20 0.46
▸ KLKB1 P03952 1/20 0.40

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
SCHEMBL20416584 1.00 ADORA2A (0.46) ADORA2AADORA2BADORA1KLKB1
SCHEMBL20436436 0.89 ADORA2A (0.47) ADORA2AADORA2BADORA1
SCHEMBL30401482 0.88 ADORA2A (0.45) ADORA2AADORA2BADORA1KLKB1
SCHEMBL20416786 0.88 ADORA2A (0.45) ADORA2AADORA2BADORA1KLKB1
SCHEMBL30401511 0.88 ADORA2A (0.49) ADORA2AADORA2BADORA1
SCHEMBL20400627 0.88 ADORA2A (0.49) ADORA2AADORA2BADORA1
SCHEMBL20442138 0.87 ADORA2A (0.49) ADORA2AADORA2BADORA1
SCHEMBL20436440 0.87 ADORA2A (0.49) ADORA2AADORA2BADORA1
SCHEMBL20442170 0.87 ADORA2A (0.49) ADORA2AADORA2BADORA1
SCHEMBL23675853 0.87 ADORA2A (0.43) ADORA2AADORA2BADORA1KLKB1

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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