SCHEMBL6029046

SCHEMBL6029046

CC(O)N(C)CCn1cnc2c(N)ncnc21

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 9/20 0.63
▸ ADORA1 P30542 4/20 0.63
▸ ADORA2B P29275 1/20 0.59
▸ ADCY5 O95622 2/20 0.59
▸ PI4KA P42356 2/20 0.55
▸ PI4K2B Q8TCG2 2/20 0.55
▸ PI4K2A Q9BTU6 2/20 0.55
▸ PI4KB Q9UBF8 2/20 0.55
▸ AHCY P23526 4/20 0.54
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 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
SCHEMBL6029352 0.87 ADORA2A (0.59) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL6029039 0.80 ADORA2A (0.69) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL9204975 0.80 ADORA2A (0.64) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL4811419 0.79 ADORA2A (0.72) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL7134825 0.79 ADORA2A (0.63) ADORA2AADORA1ADORA2BADCY5PI4KA
Hydrochloric Acid SCHEMBL10339774 0.78 ADORA2A (0.62) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL6029347 0.78 ADCY5 (0.65) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL11222112 0.78 ADORA2A (0.80) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL14355770 0.78 ADCY5 (0.57) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL5810639 0.77 ADORA2A (1.00) 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 11 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
CN-101289483-B Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG 2012-06-20 — — CN disclosed
CN-101367854-B Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG 2010-12-29 — — CN disclosed
CN-100509833-C Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2009-07-08 — — CN disclosed
CN-101367854-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2009-02-18 — — CN disclosed
CN-101289483-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2008-10-22 — — CN disclosed
CN-101289484-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2008-10-22 — — CN disclosed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 — — US disclosed
CN-1630661-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2005-06-22 — — CN disclosed
EP-1478653-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2004-11-24 — — EP disclosed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 — — WO disclosed
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