SCHEMBL29620964

SCHEMBL29620964

N#Cc1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3)co2)cn1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
DGAT1 O75907 1/20 0.41
CHEK1 O14757 17/20 0.41
GSK3B P49841 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
SCHEMBL24636908 1.00 HSD11B1 (0.45) HSD11B1DGAT1CHEK1GSK3B
SCHEMBL22925913 0.80 HDAC6 (0.43) DGAT1CHEK1
SCHEMBL29620971 0.79 GSK3B (0.62) CHEK1GSK3B
SCHEMBL22925496 0.79 TRPV1 (0.47) CHEK1GSK3B
SCHEMBL28733794 0.79 GSK3B (0.62) CHEK1GSK3B
SCHEMBL29620967 0.79 TRPV1 (0.47) CHEK1GSK3B
SCHEMBL22925878 0.79 HSD11B1 (0.49) HSD11B1
SCHEMBL22925622 0.77 DGAT1 (0.41) DGAT1CHEK1
SCHEMBL31013378 0.77 HSD11B1 (0.45) HSD11B1GSK3B
SCHEMBL22925671 0.77 HSD11B1 (0.45) HSD11B1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 CN disclosed
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 EP disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed