SCHEMBL27499558

SCHEMBL27499558

CC(=O)SCCCCn1cnc2c(N)ncnc21

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.61
▸ ADCY5 O95622 5/20 0.61
▸ ADORA1 P30542 4/20 0.57
▸ ADORA2B P29275 1/20 0.57
▸ AHCY P23526 3/20 0.55
▸ PI4KA P42356 1/20 0.52
▸ PI4K2B Q8TCG2 1/20 0.52
▸ PI4K2A Q9BTU6 1/20 0.52
▸ PI4KB Q9UBF8 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ FGFR1 P11362 1/20 0.49
▸ SLC22A6 Q4U2R8 1/20 0.49
▸ ADCY1 Q08828 1/20 0.49

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
SCHEMBL27498940 0.91 ADORA2A (0.61) ADORA2AADCY5ADORA1ADORA2BAHCY
SCHEMBL14086581 0.83 ADORA2A (0.69) ADORA2AADCY5ADORA1ADORA2BAHCY
SCHEMBL19553564 0.80 ADORA2A (0.61) ADORA2AADCY5ADORA1ADORA2BAHCY
SCHEMBL6045746 0.79 ADCY5 (0.74) ADORA2AADCY5ADORA1ADORA2BPI4KA
SCHEMBL13882135 0.79 ADORA2A (0.66) ADORA2AADCY5ADORA1ADORA2BAHCY
SCHEMBL13870064 0.79 ADORA2A (0.71) ADORA2AADCY5ADORA1ADORA2BAHCY
SCHEMBL14494886 0.79 ADCY5 (0.64) ADORA2AADCY5ADORA1ADORA2BAHCY
SCHEMBL19553487 0.78 ADORA2A (0.91) ADORA2AADCY5ADORA1ADORA2BAHCY
SCHEMBL4551803 0.78 ADORA2A (0.91) ADORA2AADCY5ADORA1ADORA2BAHCY
SCHEMBL6045556 0.78 ADCY5 (0.75) ADORA2AADCY5ADORA1ADORA2BPI4KA

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
CN-1234718-C New macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-01-04 — — CN disclosed
CN-1464880-A New macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-12-31 — — CN disclosed
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