SCHEMBL30401371

SCHEMBL30401371

COCCNc1nc(-c2cccc(C#N)c2)cc(-c2cn(Cc3cccc(COC)n3)nn2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR Q13258 1/20 0.38
▸ ALOX12 P18054 1/20 0.37
▸ ADORA2A P29274 5/20 0.37
▸ ADORA2B P29275 5/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ PIK3CA P42336 1/20 0.36
▸ OXTR P30559 1/20 0.36
▸ AVPR1A P37288 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ CLK4 Q9HAZ1 2/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ CSNK1A1 P48729 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ CLK2 P49760 1/20 0.36

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
SCHEMBL20416870 1.00 PTGDR (0.38) PTGDRALOX12ADORA2AADORA2BADORA1
SCHEMBL20436654 0.93 ADORA2A (0.39) PTGDRALOX12ADORA2AADORA2BADORA1
SCHEMBL30401191 0.90 ADORA2A (0.39) PTGDRALOX12ADORA2AADORA2BADORA1
SCHEMBL20401313 0.90 ADORA2A (0.39) PTGDRALOX12ADORA2AADORA2BADORA1
SCHEMBL20436661 0.90 KDM4E (0.41) PTGDRALOX12ADORA2AADORA2BADORA1
SCHEMBL20436645 0.90 ADORA2A (0.44) PTGDRALOX12ADORA2AADORA2BADORA1
SCHEMBL20416742 0.89 CDC7 (0.43) PTGDRADORA2AADORA2BADORA1CYP19A1
SCHEMBL20416680 0.88 CNR1 (0.36) PTGDRALOX12ADORA2AADORA2BADORA1
SCHEMBL20416755 0.88 KDM4E (0.37) PTGDRALOX12ADORA2AADORA2BADORA1
SCHEMBL30401296 0.88 KDM4E (0.37) PTGDRALOX12ADORA2AADORA2BADORA1

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-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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