SCHEMBL13870051

SCHEMBL13870051

CSCCn1cnc2c(N)ncnc21

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 10/20 0.69
▸ ADORA1 P30542 5/20 0.69
▸ ADORA2B P29275 1/20 0.69
▸ PI4KA P42356 3/20 0.64
▸ PI4K2B Q8TCG2 3/20 0.64
▸ PI4K2A Q9BTU6 3/20 0.64
▸ PI4KB Q9UBF8 3/20 0.64
▸ LMNA P02545 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ NSD3 Q9BZ95 1/20 0.56
▸ AHCY P23526 3/20 0.55
▸ ALDH1A1 P00352 1/20 0.54
▸ HPGD P15428 1/20 0.53

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
SCHEMBL13870064 0.91 ADORA2A (0.71) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL14086581 0.90 ADORA2A (0.69) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL13870063 0.85 ADCY5 (0.61) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL11222112 0.85 ADORA2A (0.80) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL29387721 0.82 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL233405 0.82 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL27498940 0.81 ADORA2A (0.61) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL11595837 0.81 FDPS (0.52) ADORA2AADORA1ADORA2BPI4KAPI4K2B
Water SCHEMBL27886802 0.81 ADORA2A (0.97) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL2638103 0.80 ADORA2A (0.73) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 — — EP disclosed
US-7524823-B2 Macrolides BASILEA PHARMACEUTICA AG (CH) 2009-04-28 — — US disclosed
US-7524823-B2 Macrolides BASILEA PHARMACEUTICA AG (CH) 2009-04-28 — — US disclosed
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