SCHEMBL25835522

SCHEMBL25835522

Nc1n[nH]c2nc(C(F)(F)F)cc(C3CC3)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.34
CYP17A1 P05093 3/20 0.34
JAK2 O60674 4/20 0.33
JAK1 P23458 4/20 0.33
TYK2 P29597 4/20 0.33
JAK3 P52333 4/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
CDK2 P24941 2/20 0.33
CCNA1 P78396 2/20 0.33
FLT3 P36888 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
TRPA1 O75762 1/20 0.32
MAP4K4 O95819 1/20 0.31
CDC7 O00311 1/20 0.30
DBF4 Q9UBU7 1/20 0.30
SGK1 O00141 1/20 0.30
IKBKB O14920 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
SCHEMBL16680860 0.76 HSP90AA1 (0.42) TSHRALDH1A1GAAHSP90AA1HSP90AB1
SCHEMBL30873890 0.68 TLR8 (0.41) CYP17A1ALDH1A1HSP90AA1HSP90AB1
SCHEMBL22411322 0.68 TLR8 (0.41) CYP17A1ALDH1A1HSP90AA1HSP90AB1
SCHEMBL2201444 0.68 ADORA2A (0.41) TSHRALDH1A1CDK2CCNA1FLT3
SCHEMBL30675628 0.65 L3MBTL1 (0.38) JAK2JAK3ALDH1A1GAAFLT3
SCHEMBL26675398 0.65 L3MBTL1 (0.38) JAK2JAK3ALDH1A1GAAFLT3
SCHEMBL14722578 0.64 IGF1R (0.47) CDK2CCNA1CCNA2
SCHEMBL25370864 0.64 CA2 (0.40) CYP17A1
SCHEMBL22252781 0.63 IRAK4 (0.38) NOTUMCDK2CCNA1FLT3HSP90AB1
SCHEMBL5024252 0.63 HTR2C (0.44) NOTUMIKBKB

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-2023120452-A1 SREBP-1 INHIBITOR AND PHARMACEUTICAL COMPOSITION FOR TREATING HYPERTRIGLYCERIDEMIA 国立大学法人筑波大学 2023-06-29 WO disclosed