SCHEMBL30402233

SCHEMBL30402233

CC(C)C(C(=O)O)c1cccc(Cn2cc(-c3cc(-c4ccccc4F)nc(N)n3)nn2)n1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 18/20 0.46
▸ ADORA2B P29275 16/20 0.46
▸ ADORA1 P30542 2/20 0.46
▸ KLKB1 P03952 1/20 0.39

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
SCHEMBL20400671 0.82 ADORA2A (0.46) ADORA2AADORA2BADORA1KLKB1
SCHEMBL30401207 0.82 ADORA2A (0.46) ADORA2AADORA2BADORA1KLKB1
SCHEMBL30401458 0.81 ADORA2A (0.49) ADORA2AADORA2BADORA1
SCHEMBL20400817 0.81 ADORA2A (0.49) ADORA2AADORA2BADORA1
SCHEMBL20436380 0.81 ADORA2A (0.54) ADORA2AADORA2BADORA1
SCHEMBL24412404 0.81 ADORA2A (0.54) ADORA2AADORA2BADORA1
SCHEMBL20416728 0.80 ADORA2A (0.56) ADORA2AADORA2BADORA1KLKB1
SCHEMBL30720457 0.80 ADORA2A (0.56) ADORA2AADORA2BADORA1KLKB1
SCHEMBL30400506 0.78 ADORA2A (0.49) ADORA2AADORA2BADORA1
SCHEMBL20401268 0.78 ADORA2A (0.49) ADORA2AADORA2BADORA1

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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