SCHEMBL979020

SCHEMBL979020

Nc1ncnc2c1ncn2C1CCC(C(=O)NO)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADCY5 O95622 13/20 1.00
ADORA2A P29274 1/20 0.63
CHKA P35790 4/20 0.62
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
NFKB1 P19838 1/20 0.57
THPO P40225 1/20 0.57
BLM P54132 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL6045720 1.00 ADCY5 (1.00) ADCY5ADORA2ACHKACYP1A2CYP3A4
SCHEMBL14956936 1.00 ADCY5 (1.00) ADCY5ADORA2ACHKACYP1A2CYP3A4
SCHEMBL6045721 1.00 ADCY5 (1.00) ADCY5ADORA2ACHKACYP1A2CYP3A4
SCHEMBL6045709 1.00 ADCY5 (1.00) ADCY5ADORA2ACHKACYP1A2CYP3A4
SCHEMBL6045679 1.00 ADCY5 (1.00) ADCY5ADORA2ACHKACYP1A2CYP3A4
SCHEMBL6045706 0.86 ADCY5 (0.76) ADCY5ADORA2ACHKACYP1A2CYP3A4
SCHEMBL6045812 0.86 ADCY5 (0.76) ADCY5ADORA2ACHKACYP1A2CYP3A4
SCHEMBL19714899 0.85 ADCY5 (0.73) ADCY5ADORA2ACHKACYP1A2CYP3A4
SCHEMBL19714823 0.85 ADCY5 (0.73) ADCY5CHKA
SCHEMBL19714847 0.84 ADCY5 (0.72) ADCY5CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871735-B2 Methods and compositions for providing cardiac protection RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-28 US disclosed
US-20130131005-A1 METHODS AND COMPOSITIONS FOR PROVIDING CARDIAC PROTECTION UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2013-05-23 US disclosed
US-20110021453-A1 Methods and compositions for providing cardiac protection RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2011-01-27 US disclosed
WO-2009099676-A1 TYPE 5 ADENYLYL CYCLASE INHIBITORS FOR PROVIDING CARDIAC PROTECTION UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2009-08-13 WO disclosed