SCHEMBL31363822

SCHEMBL31363822

CC(C)(C)OC(=O)Nc1nc2c(C(=O)O)cc(Br)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.46
LCK P06239 3/20 0.43
CACNA1H O95180 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1C Q13936 1/20 0.38
BCHE P06276 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34

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
SCHEMBL18554539 1.00 DHODH (0.46) DHODHLCKCACNA1HCACNA1BCACNA1C
SCHEMBL20378076 0.89 ATR (0.43) DHODHLCKCACNA1HCACNA1BCACNA1C
SCHEMBL30138958 0.89 ATR (0.43) DHODHLCKCACNA1HCACNA1BCACNA1C
SCHEMBL31363742 0.79 PARP1 (0.44) LCK
SCHEMBL6582251 0.76 LCK (0.45) LCKCACNA1HCACNA1BCACNA1CBCHE
SCHEMBL6584685 0.74 LCK (0.50) LCKCACNA1HCACNA1BCACNA1CBCHE
SCHEMBL31370470 0.74 LCK (0.53) LCKBCHETUBB4ATUBBTUBA3C
SCHEMBL20482409 0.72 DHODH (0.61) DHODH
SCHEMBL6784411 0.71 LCK (0.57) LCKBCHEHSD17B10TUBB4ATUBB
SCHEMBL31721205 0.71 LCK (0.69) LCKTUBB4ATUBBTUBA3CTUBA1B

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-2025059074-A1 BICYCLIC COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2025-03-20 WO disclosed