SCHEMBL4065245

SCHEMBL4065245

Nc1nc(SC2CCCC2)nc2[nH]cnc12

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CCR7 P32248 1/20 0.32
▸ PTPN11 Q06124 1/20 0.31
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 1/20 0.30

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
SCHEMBL4064674 0.99 ADORA3 (0.39) ADORA3SMN1; SMN2CCR7PTPN11ADORA2A
SCHEMBL30716876 0.99 ADORA3 (0.39) ADORA3SMN1; SMN2CCR7PTPN11ADORA2A
SCHEMBL17595255 0.77 MAP3K5 (0.35) SMN1; SMN2PTPN11
SCHEMBL258582 0.74 MAP3K5 (0.37) —
SCHEMBL17800815 0.74 PDE8B (0.35) —
SCHEMBL3245634 0.73 PDE8B (0.36) —
SCHEMBL16145849 0.72 PAK1 (0.47) ADORA3ADORA2AADORA1
SCHEMBL756296 0.71 HASPIN (0.33) SMN1; SMN2
SCHEMBL4408534 0.71 HSP90AA1 (0.39) SMN1; SMN2ADORA2AADORA1
SCHEMBL159109 0.71 ADORA2A (0.40) ADORA2A

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
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 — — WO disclosed
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 — — WO disclosed
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