SCHEMBL30401142

SCHEMBL30401142

N#Cc1cccc(-c2cc(-c3cn(Cc4cccc(N5CCCCC5C(=O)O)n4)nn3)nc(N)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 15/20 0.42
▸ ADORA2B P29275 12/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ CPT2 P23786 1/20 0.37
▸ CPT1A P50416 1/20 0.37
▸ CPT1B Q92523 1/20 0.37
▸ SYK P43405 1/20 0.35
▸ UCHL1 P09936 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35

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
SCHEMBL20416822 1.00 ADORA2A (0.42) ADORA2AADORA2BADORA1CPT2CPT1A
SCHEMBL20401512 0.98 ADORA2A (0.42) ADORA2AADORA2BADORA1SYKUCHL1
SCHEMBL30401359 0.98 ADORA2A (0.42) ADORA2AADORA2BADORA1SYKUCHL1
SCHEMBL20401505 0.98 ADORA2A (0.42) ADORA2AADORA2BADORA1SYKUCHL1
SCHEMBL20416628 0.98 ADORA2A (0.42) ADORA2AADORA2BADORA1SYKUCHL1
SCHEMBL30401055 0.98 ADORA2A (0.42) ADORA2AADORA2BADORA1SYKUCHL1
SCHEMBL20436719 0.91 ADORA2A (0.43) ADORA2AADORA2BADORA1SYKUCHL1
SCHEMBL20416650 0.89 ADORA2A (0.42) ADORA2AADORA2BADORA1SYKUCHL1
SCHEMBL20417134 0.89 ADORA2A (0.42) ADORA2AADORA2BADORA1SYKUCHL1
SCHEMBL26216935 0.89 ADORA2A (0.42) ADORA2AADORA2BADORA1SYKUCHL1

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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