SCHEMBL30328166

SCHEMBL30328166

Cn1c(=O)n(CC(F)F)c2nc(Cl)ncc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
USP1 O94782 16/20 0.37
BCL6 P41182 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL30328953 0.85 ADORA2A (0.32) GRIN1GRIN2B
SCHEMBL25164044 0.83 USP1 (0.39) USP1
SCHEMBL25164095 0.79 POLB (0.36) USP1GRIN1GRIN2B
SCHEMBL4184836 0.78 PDE4A (0.43) HPGDHTTHSD17B10
SCHEMBL23620552 0.77 HPGD (0.56) HPGDHTTHSD17B10
SCHEMBL1693503 0.77 HPGD (0.54) HPGDHTTHSD17B10USP1
SCHEMBL25057366 0.76 HSD17B10 (0.44) HPGDHTTHSD17B10BCL6GRIN1
SCHEMBL30031420 0.74 PIK3CA (0.46) HTTHSD17B10USP1
SCHEMBL23625347 0.74 USP1 (0.42) HPGDHTTHSD17B10USP1GRIN1
SCHEMBL24787066 0.74 USP1 (0.38) HPGDHTTHSD17B10USP1BCL6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4415706-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-08-21 EP disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed