SCHEMBL10741124

SCHEMBL10741124

N#CCOc1ccc(-c2nc3nccnc3[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 11/20 0.42
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
AURKA O14965 1/20 0.41
SYK P43405 1/20 0.40
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
TBK1 Q9UHD2 3/20 0.38
PARP1 P09874 1/20 0.37

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
SCHEMBL10739608 0.86 CYP1A1 (0.52) PRMT5METAP2METAP1AURKACYP1A1
SCHEMBL10736622 0.84 AURKA (0.46) METAP2METAP1AURKA
SCHEMBL10737285 0.81 TBK1 (0.53) PRMT5METAP2METAP1AURKASYK
SCHEMBL9635700 0.81 PRMT5 (0.65) PRMT5METAP2METAP1AURKA
SCHEMBL10734507 0.81 PDE2A (0.41) METAP2METAP1AURKASYKCYP1A2
SCHEMBL10735463 0.81 SYK (0.39) METAP2METAP1AURKASYK
SCHEMBL10737690 0.79 CYP2D6 (0.55) AURKACYP1A2
SCHEMBL10734763 0.79 RAB9A (0.52) PRMT5METAP2METAP1AURKACYP1A2
SCHEMBL10736467 0.78 PDE2A (0.52) PRMT5METAP2METAP1AURKACYP1A2
SCHEMBL10738052 0.78 AURKA (0.64) PRMT5METAP2METAP1AURKATBK1

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 5 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
EP-0093951-A2 2-Aryl-tetraazaindenes MERCK PATENT GmbH (DE) 1983-11-16 EP disclosed