SCHEMBL6029039

SCHEMBL6029039

CN(CCO)CCn1cnc2c(N)ncnc21

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 9/20 0.69
▸ ADORA1 P30542 4/20 0.69
▸ ADCY5 O95622 1/20 0.67
▸ ADORA2B P29275 1/20 0.61
▸ PI4KA P42356 2/20 0.56
▸ PI4K2B Q8TCG2 2/20 0.56
▸ PI4K2A Q9BTU6 2/20 0.56
▸ PI4KB Q9UBF8 2/20 0.56
▸ ADCY1 Q08828 1/20 0.55
▸ AHCY P23526 7/20 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
SCHEMBL6029347 0.88 ADCY5 (0.65) ADORA2AADORA1ADCY5ADORA2BPI4KA
SCHEMBL13870063 0.84 ADCY5 (0.61) ADORA2AADORA1ADCY5ADORA2BPI4KA
SCHEMBL29459142 0.82 ADORA2A (1.00) ADORA2AADORA1ADCY5ADORA2BPI4KA
SCHEMBL984944 0.82 ADORA2A (1.00) ADORA2AADORA1ADCY5ADORA2BPI4KA
SCHEMBL14355770 0.81 ADCY5 (0.57) ADORA2AADORA1ADCY5ADORA2BPI4KA
SCHEMBL11610452 0.81 AHCY (0.67) ADORA2AADORA1ADCY5ADORA2BPI4KA
Hydrochloric Acid SCHEMBL9193028 0.81 ADORA2A (0.97) ADORA2AADORA1ADCY5ADORA2BPI4KA
SCHEMBL9204975 0.81 ADORA2A (0.64) ADORA2AADORA1ADCY5ADORA2BPI4KA
SCHEMBL4811419 0.80 ADORA2A (0.72) ADORA2AADORA1ADCY5ADORA2BPI4KA
SCHEMBL6029046 0.80 ADORA2A (0.63) ADORA2AADORA1ADCY5ADORA2BPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2255683-A — — None — — JP disclosed
JP-3232806-A — — None — — JP disclosed
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
JP-H03232806-A CROP YIELD INCREASING AGENT MITSUBISHI GAS CHEM CO INC 1991-10-16 — — JP disclosed
JP-H02255683-A ADENINE DERIVATIVE MITSUBISHI GAS CHEM CO INC 1990-10-16 — — JP disclosed
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