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Sugi Predict / Compounds / SCHEMBL3958765

SCHEMBL3958765

SCHEMBL3958765

CCCCSc1nc(N)c2ncn(C(=O)c3c(F)cccc3F)c2n1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.43
▸ P2RX3 P56373 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3965027 0.86 ADORA3 (0.42) ADORA3P2RX3NPC1NFKB1RAB9A
SCHEMBL3958906 0.78 ADORA2A (0.46) ADORA3
SCHEMBL3955974 0.77 ADORA3 (0.42) ADORA3P2RX3
SCHEMBL3955978 0.77 ADORA3 (0.44) ADORA3P2RX3
SCHEMBL3961113 0.76 PDE4A (0.49) —
SCHEMBL3955983 0.73 PDE4A (0.41) ADORA3
SCHEMBL22580552 0.73 ADORA3 (0.51) ADORA3P2RX3
SCHEMBL3959403 0.72 PDE4A (0.47) ADORA3
SCHEMBL3962765 0.71 PIK3CD (0.41) ADORA3
SCHEMBL3963204 0.71 ADORA2A (0.52) ADORA3

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