SCHEMBL10740356

SCHEMBL10740356

CSc1ccc(-c2nc3nccnc3[nH]2)c(OCC#N)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.35
▸ METAP1 P53582 1/20 0.35
▸ PDE2A O00408 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ PDE5A O76074 10/20 0.33
▸ PDE4A P27815 5/20 0.32
▸ PDE4B Q07343 5/20 0.32
▸ PDE4C Q08493 5/20 0.32
▸ PDE4D Q08499 5/20 0.32
▸ AURKA O14965 1/20 0.32
▸ ENPP1 P22413 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31

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
SCHEMBL10740468 0.89 METAP2 (0.35) METAP2METAP1PDE2AALDH1A1PDE5A
SCHEMBL10740448 0.86 PDE5A (0.45) METAP2METAP1PDE2AALDH1A1GAA
SCHEMBL10734507 0.84 PDE2A (0.41) METAP2METAP1PDE2AALDH1A1PDE5A
SCHEMBL10673882 0.83 PDE2A (0.48) METAP2METAP1PDE2AALDH1A1GAA
SCHEMBL10741956 0.83 PDE2A (0.52) METAP2METAP1PDE2AALDH1A1GAA
SCHEMBL10738585 0.83 METAP2 (0.37) METAP2METAP1PDE2AALDH1A1GAA
SCHEMBL10736354 0.82 PDE2A (0.41) METAP2METAP1PDE2AALDH1A1PDE5A
SCHEMBL10734778 0.82 METAP2 (0.35) METAP2METAP1PDE2AALDH1A1PDE5A
SCHEMBL10737588 0.81 PDE2A (0.42) METAP2METAP1PDE2AALDH1A1PDE5A
SCHEMBL10742084 0.81 METAP2 (0.34) METAP2METAP1PDE2AALDH1A1PDE5A

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-4654344-A ALSO AFFECT BLOOD PRESSURE AND MYOCARDIAL CONTRACTIONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-03-31 — — US disclosed
EP-0093951-B1 2-ARYL-TETRAAZAINDENES MERCK PATENT GmbH (DE) 1986-10-29 — — EP disclosed
US-4575505-A Pharmaceutical compositions containing 2-aryltetraazaindenes for treating ulcers or cardiac insufficiency or blood pressure abnormalities MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-03-11 — — US disclosed
US-4477454-A INDOTROPIC AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-16 — — US disclosed
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