SCHEMBL12907431

SCHEMBL12907431

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.44
FGFR1 P11362 5/20 0.42
FGFR2 P21802 3/20 0.42
FGFR3 P22607 2/20 0.42
JAK2 O60674 2/20 0.42
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SGK1 O00141 1/20 0.39
GSK3B P49841 3/20 0.39
CDK1 P06493 2/20 0.38
CDK2 P24941 2/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
CHEK1 O14757 1/20 0.38
CDK4 P11802 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CCND3 P30281 1/20 0.38

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
SCHEMBL12907210 0.85 JAK2 (0.60) PDPK1JAK2SGK1GSK3BCDK1
SCHEMBL12907465 0.82 MAP2K4 (0.55) PDPK1FGFR1FGFR2FGFR3JAK2
SCHEMBL14397096 0.79 PDPK1 (0.53) PDPK1FGFR1FGFR2FGFR3JAK2
SCHEMBL12907457 0.78 JAK2 (0.67) PDPK1FGFR1FGFR2FGFR3JAK2
SCHEMBL12907184 0.77 JAK2 (0.62) PDPK1JAK2GSK3BCDK1CDK2
SCHEMBL12907451 0.76 FGFR1 (0.70) PDPK1FGFR1FGFR2FGFR3JAK2
SCHEMBL12907438 0.74 GSK3B (0.54) PDPK1FGFR1FGFR2FGFR3JAK2
SCHEMBL12907468 0.74 GSK3B (0.54) PDPK1FGFR1FGFR2FGFR3JAK2
SCHEMBL12907422 0.73 GSK3B (0.55) PDPK1FGFR1FGFR2FGFR3JAK2
SCHEMBL8348438 0.73 KIF11 (0.47) FGFR1MEN1KMT2AGSK3BDYRK1A

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