SCHEMBL12907433

SCHEMBL12907433

Cc1n[nH]c2ccc(-c3cccc(O)c3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.51
HSD17B1 P14061 4/20 0.48
HSD17B2 P37059 4/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 1/20 0.48
CHEK1 O14757 2/20 0.48
MAP2K4 P45985 2/20 0.48
MAPK1 P28482 1/20 0.48
MAPKAPK2 P49137 1/20 0.48
MAPKAPK3 Q16644 1/20 0.48
MAPK6 Q16659 1/20 0.48
MAPKAPK5 Q8IW41 1/20 0.48
JAK2 O60674 4/20 0.47
GSK3B P49841 1/20 0.47
DYRK1A Q13627 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
AAK1 Q2M2I8 1/20 0.45
CDK4 P11802 1/20 0.45
CCNA2 P20248 1/20 0.45
JAK1 P23458 1/20 0.45

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
SCHEMBL12907435 0.88 CHEK1 (0.58) HSD17B1HSD17B2CYP3A4CYP2C9CHEK1
SCHEMBL12907439 0.85 MAPK1 (0.59) MKNK1CHEK1MAP2K4MAPK1MAPKAPK2
SCHEMBL27968550 0.83 MKNK1 (0.71) MKNK1CHEK1MAP2K4JAK2GSK3B
SCHEMBL10213901 0.83 JAK2 (0.71) HSD17B1HSD17B2CYP3A4CYP2C9CHEK1
SCHEMBL23062796 0.81 MAP2K4 (0.53) CYP3A4CYP2C9MAP2K4MAPK1MAPKAPK2
SCHEMBL21509969 0.80 MAP2K4 (0.60) MKNK1MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL19188029 0.78 JAK2 (0.57) MKNK1MAP2K4MAPK1MAPKAPK2MAPKAPK3
SCHEMBL29942349 0.78 MAP2K4 (0.64) MKNK1CHEK1MAP2K4JAK2GSK3B
SCHEMBL12907440 0.77 JAK2 (0.48) MKNK1MAP2K4MAPK1MAPKAPK2MAPKAPK3
SCHEMBL12907599 0.76 CHEK1 (0.59) HSD17B1HSD17B2CHEK1DYRK1ADYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872039-B2 N-3-chlorobenzyl-3-amino-1H-indazole-5-carboxamide; 3-aminoindazoles; glucocorticoid-depedent kinase (SGK) inhibitors; SGK-induced diseases; diabetes, obesity, metabolic syndrome (dyslipidaemia), systemic and pulmonary hypertonia, cardiovascular diseases and renal diseases, fibrosis; inflammatory agents MERCK PATENT GESELLSCHAFT (DE) 2011-01-18 US disclosed