SCHEMBL4035945

SCHEMBL4035945

CC(C)(C)OC(=O)On1nc(N)c2cc(CN)ccc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.38
PDGFRA P16234 1/20 0.32
CDK5 Q00535 1/20 0.32
TYRO3 Q06418 1/20 0.32
MAP2K4 P45985 1/20 0.31
ROCK1 Q13464 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TBK1 Q9UHD2 1/20 0.30
RIPK1 Q13546 1/20 0.30
RIPK3 Q9Y572 1/20 0.30

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
SCHEMBL3933114 0.85 NR1H2 (0.36) NR1H2PDGFRACDK5TYRO3MAP2K4
SCHEMBL924609 0.81 NR1H2 (0.44) NR1H2PDGFRACDK5TYRO3MAP2K4
SCHEMBL4212522 0.80 GUCY1A1 (0.36) NR1H2PDGFRACDK5TYRO3
SCHEMBL4036847 0.78 CA1 (0.44) ALDH1A1HPGD
SCHEMBL4041104 0.74 ANO1 (0.44) RIPK1
SCHEMBL3933572 0.72 ROCK2 (0.49) ROCK1ALDH1A1MAPTHSD17B10
SCHEMBL3935784 0.71 KMT2A (0.40)
SCHEMBL16756072 0.66 NR1H2 (0.52) NR1H2
SCHEMBL2863260 0.66 MAP2K4 (0.58) NR1H2MAP2K4MAPT
SCHEMBL25026048 0.65 HTR6 (0.43) NR1H2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765788-B1 3-AMINOINDAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SGK-ASSOCIATED DISEASES MERCK PATENT GMBH (DE) 2009-06-03 EP disclosed
EP-1765788-A2 3-AMINOINDAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SGK-ASSOCIATED DISEASES MERCK PATENT GmbH (DE) 2007-03-28 EP disclosed
WO-2005123688-A2 3-AMINOINDAZOLES MERCK PATENT GMBH (DE) 2005-12-29 WO disclosed