SCHEMBL8709967

SCHEMBL8709967

Nc1nc(N)c2nnn(-n3nnc4c(N)ncnc43)c2n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 12/20 0.40
▸ ADORA1 P30542 11/20 0.40
▸ ADORA2B P29275 8/20 0.40
▸ ADORA3 P0DMS8 4/20 0.40
▸ PI4KA P42356 7/20 0.39
▸ PI4K2B Q8TCG2 7/20 0.39
▸ PI4K2A Q9BTU6 7/20 0.39
▸ PI4KB Q9UBF8 7/20 0.39
▸ CDK1 P06493 2/20 0.38
▸ CCNB1 P14635 2/20 0.38
▸ CCNE1 P24864 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ PDE8B O95263 1/20 0.37
▸ AHCY P23526 1/20 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
SCHEMBL6316382 0.76 CDK1 (0.33) ADORA2AADORA3CDK1CCNB1CCNE1
SCHEMBL25423776 0.71 CDK1 (0.37) ADORA2ACDK1CCNB1CCNE1CDK2
SCHEMBL21128128 0.71 ADORA2A (0.46) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL24453637 0.70 ADORA2A (0.42) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL763189 0.69 ADORA2A (0.53) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL26348959 0.69 AHCY (0.44) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL7938906 0.68 ADORA2A (0.45) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL13347013 0.67 CDK1 (0.41) ADORA2AADORA3CDK1CCNB1CCNE1
SCHEMBL21504439 0.67 PDE8B (0.52) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL21942687 0.66 ADORA2A (0.44) ADORA2AADORA1ADORA2BADORA3PI4KA

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-1998007844-A2 SCREENING ASSAY FOR THE IDENTIFICATION OF AGENTS WHICH ALTER EXPRESSION OF PTH-rP OSTEOSCREEN (US) 1998-02-26 — — WO disclosed
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