SCHEMBL4754628

SCHEMBL4754628

CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nc4c(N5CCN(Cc6ccc(C(F)(F)F)nc6)CC5)c(Cl)cnc4[nH]3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 7/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
CCNK O75909 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCND3 P30281 1/20 0.40
CDK9 P50750 1/20 0.40
CDK6 Q00534 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALK Q9UM73 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
AURKA O14965 1/20 0.38
FGFR1 P11362 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
SCHEMBL13985741 0.92 AURKA (0.43) TBK1PPARDPPARAGPR119MEN1
SCHEMBL13985472 0.89 AURKA (0.42) TBK1PPARDAURKA
SCHEMBL209558 0.87 ALK (0.44) TBK1SMN1; SMN2GPR119CCNKCCNA2
SCHEMBL13985730 0.87 KIT (0.40) PPARDPPARAAURKA
SCHEMBL13985586 0.87 TBK1 (0.36) TBK1PPARDAURKA
SCHEMBL209864 0.85 TBK1 (0.44) TBK1AURKA
SCHEMBL4756518 0.85 AURKA (0.40) PPARDPPARAAURKAFGFR1FGFR2
SCHEMBL4754616 0.85 PPARD (0.40) TBK1PPARDPPARAGPR119MEN1
SCHEMBL13985661 0.84 TBK1 (0.42) TBK1
SCHEMBL13985647 0.83 AURKA (0.51) TBK1SMN1; SMN2HTTNPSR1MEN1

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
WO-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed