SCHEMBL20401494

SCHEMBL20401494

CC(=O)ONc1nc(-c2cccc(C#N)c2)cc(-c2cn(Cc3cccc(C(C)C)n3)nn2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 9/20 0.37
▸ ADORA2B P29275 7/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ KLKB1 P03952 1/20 0.37
▸ CDC7 O00311 2/20 0.37
▸ DAPK3 O43293 2/20 0.37
▸ ROCK2 O75116 2/20 0.37
▸ PAK4 O96013 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ CSNK1A1 P48729 2/20 0.37
▸ CDK8 P49336 2/20 0.37
▸ CLK2 P49760 2/20 0.37
▸ CDK7 P50613 2/20 0.37
▸ CDK9 P50750 2/20 0.37
▸ PRKX P51817 2/20 0.37
▸ CDK5 Q00535 2/20 0.37
▸ DYRK1A Q13627 2/20 0.37
▸ MELK Q14680 2/20 0.37
▸ HIPK2 Q9H2X6 2/20 0.37

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
SCHEMBL27029429 0.87 ADORA2A (0.43) ADORA2AADORA2BADORA1KLKB1CDC7
SCHEMBL30402235 0.87 ADORA2A (0.38) ADORA2AADORA2BADORA1KLKB1CDC7
SCHEMBL20401495 0.87 ADORA2A (0.38) ADORA2AADORA2BADORA1KLKB1CDC7
SCHEMBL20436680 0.86 CDC7 (0.39) ADORA2AADORA2BADORA1KLKB1CDC7
SCHEMBL20416991 0.85 ADORA2B (0.43) ADORA2AADORA2BADORA1KLKB1CLK4
SCHEMBL20436681 0.85 CDC7 (0.40) ADORA2AADORA2BADORA1KLKB1CDC7
SCHEMBL20436658 0.85 ADORA2A (0.40) ADORA2AADORA2BADORA1KLKB1CDC7
SCHEMBL20436661 0.83 KDM4E (0.41) ADORA2AADORA2BADORA1KLKB1CDC7
SCHEMBL30401511 0.83 ADORA2A (0.49) ADORA2AADORA2BADORA1
SCHEMBL20400627 0.83 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018136700-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. (US) 2018-07-26 — — WO disclosed
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