SCHEMBL20416679

SCHEMBL20416679

COCC(Nc1nc(-c2cccc(C#N)c2)cc(-c2cn(Cc3cccc(N4CCCC4)n3)nn2)n1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LRRK2 Q5S007 3/20 0.33
▸ ADORA2A P29274 5/20 0.33
▸ ADORA2B P29275 4/20 0.33
▸ IRAK4 Q9NWZ3 3/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PAK4 O96013 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CDK7 P50613 1/20 0.33

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
SCHEMBL20436665 1.00 MAPT (0.35) MAPTPDE10ACYP19A1CNR1ALDH1A1
SCHEMBL20436664 1.00 MAPT (0.35) MAPTPDE10ACYP19A1CNR1ALDH1A1
SCHEMBL20416733 0.91 CYP19A1 (0.35) MAPTPDE10ACYP19A1CNR1ALDH1A1
SCHEMBL20436706 0.91 CYP19A1 (0.35) MAPTPDE10ACYP19A1CNR1ALDH1A1
SCHEMBL20436729 0.91 CYP19A1 (0.35) MAPTPDE10ACYP19A1CNR1ALDH1A1
SCHEMBL20400935 0.88 NOTUM (0.37) LRRK2ADORA2AADORA2BCDC7DAPK3
SCHEMBL20400933 0.88 NOTUM (0.37) LRRK2ADORA2AADORA2BCDC7DAPK3
SCHEMBL20421973 0.88 NOTUM (0.37) LRRK2ADORA2AADORA2BCDC7DAPK3
SCHEMBL30400769 0.88 NOTUM (0.37) LRRK2ADORA2AADORA2BCDC7DAPK3
SCHEMBL20416678 0.88 NOTUM (0.37) LRRK2ADORA2AADORA2BCDC7DAPK3

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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