SCHEMBL12907468

SCHEMBL12907468

Cc1n[nH]c2cc(-c3ccc(N(C)C)cc3)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.54
ABL1 P00519 2/20 0.52
BCR P11274 2/20 0.52
PDPK1 O15530 6/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FGFR1 P11362 2/20 0.45
FGFR2 P21802 2/20 0.45
FGFR3 P22607 1/20 0.45
JAK2 O60674 1/20 0.45
SGK1 O00141 1/20 0.44
PRKCZ Q05513 1/20 0.43
TGFBR1 P36897 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4490310 0.84 ABL1 (0.69) GSK3BABL1BCRPDPK1JAK2
SCHEMBL14397096 0.83 PDPK1 (0.53) GSK3BABL1BCRPDPK1FGFR1
SCHEMBL12907457 0.81 JAK2 (0.67) GSK3BPDPK1FGFR1FGFR2FGFR3
SCHEMBL12907451 0.80 FGFR1 (0.70) GSK3BPDPK1FGFR1FGFR2FGFR3
SCHEMBL12907438 0.77 GSK3B (0.54) GSK3BABL1BCRPDPK1SMN1; SMN2
SCHEMBL12907465 0.76 MAP2K4 (0.55) GSK3BABL1BCRPDPK1FGFR1
SCHEMBL12907422 0.76 GSK3B (0.55) GSK3BPDPK1FGFR1FGFR2FGFR3
SCHEMBL12907464 0.75 SGK1 (0.51) PDPK1FGFR1FGFR2FGFR3JAK2
SCHEMBL12907471 0.75 AAK1 (0.57) GSK3BABL1BCRPDPK1FGFR1
SCHEMBL4483349 0.75 GSK3B (0.74) GSK3BABL1BCRFGFR1FGFR2

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