SCHEMBL12502663

SCHEMBL12502663

Cc1nc2ccccc2n2c(-c3cc(OCCCO)ccc3Cl)nnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 20/20 1.00
▸ PDE10A Q9Y233 7/20 0.90

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
SCHEMBL14053987 0.97 PDE2A (1.00) PDE2APDE10A
SCHEMBL12502795 0.95 PDE2A (1.00) PDE2APDE10A
SCHEMBL12503029 0.92 PDE2A (1.00) PDE2APDE10A
SCHEMBL14054110 0.89 PDE2A (1.00) PDE2APDE10A
SCHEMBL12502110 0.89 PDE2A (1.00) PDE2APDE10A
SCHEMBL12502544 0.88 PDE2A (1.00) PDE2APDE10A
SCHEMBL12502424 0.87 PDE2A (1.00) PDE2APDE10A
SCHEMBL15471735 0.87 PDE2A (1.00) PDE2APDE10A
SCHEMBL12502715 0.87 PDE2A (1.00) PDE2APDE10A
SCHEMBL18861053 0.85 PDE2A (1.00) PDE2APDE10A

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
EP-2670754-B1 (1,2,4)TRIAZOLO[4,3-A]QUINOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BOEHRINGER INGELHEIM INT (DE) 2017-05-24 — — EP claimed
EP-2670754-B1 (1,2,4)TRIAZOLO[4,3-A]QUINOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BOEHRINGER INGELHEIM INT (DE) 2017-05-24 — — EP disclosed
EP-2670754-A1 (1,2,4)TRIAZOLO[4,3-A]QUINOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES Boehringer Ingelheim International GmbH (DE) 2013-12-11 — — EP disclosed
WO-2012104293-A1 (1,2,4)TRIAZOLO[4,3-A]QUINOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-09 — — WO disclosed
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