SCHEMBL7354927

SCHEMBL7354927

COc1ccc(Cc2nc3c(nnn3C(CCCc3ccccc3)C(C)O)c(=O)[nH]2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 13/20 0.57
POLB P06746 1/20 0.42
HPGD P15428 2/20 0.40
CCNE2 O96020 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL7355183 0.92 PDE2A (0.48) PDE2APOLBALDH1A1
SCHEMBL2835216 0.91 PDE2A (0.55) PDE2APOLBHPGDCCNE2CDK4
SCHEMBL4947310 0.86 PDE2A (0.62) PDE2APOLBCCNE2CDK4CCND1
SCHEMBL7356548 0.86 PDE2A (0.40) PDE2APOLBCCNE2CCNE1CDK2
SCHEMBL7000731 0.85 PDE2A (0.57) PDE2APOLBHPGDALDH1A1TP53
SCHEMBL7356637 0.84 PDE2A (0.40) PDE2APOLBALDH1A1MAPK1
SCHEMBL6999184 0.84 PDE2A (0.57) PDE2ACCNE2CDK4CCND1CCNE1
SCHEMBL6023972 0.81 PDE2A (0.52) PDE2APOLBCCNE2CDK4CCND1
SCHEMBL7355722 0.81 ADORA3 (0.48) PDE2APOLBHPGDCCNE2CDK4
SCHEMBL6023204 0.80 PDE2A (0.51) PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107968-B1 DIHYDRO-[1,2,3]TRIAZOLO-[4,5-D]PYRIMIDIN-7-ONE BAYER AG (DE) 2002-11-13 EP disclosed
US-6458796-B1 METHOD OF TREATING CARDIOVASCULAR DISORDERS, THROMBOEMBOLIC DISORDERS AND ISCHAEMIAS, AND UROGENITAL SYSTEM DISORDERS, COMPRISING ADMINISTERING TO MAMMALS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-01 US disclosed