SCHEMBL31721702

SCHEMBL31721702

COC(=O)c1cc(I)cc2c(Cl)ncnc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 3/20 0.37
TP53 P04637 1/20 0.37
ATR Q13535 1/20 0.36
PSMD14 O00487 1/20 0.35
ABL1 P00519 1/20 0.35
NQO2 P16083 3/20 0.34
NR4A2 P43354 2/20 0.34
OPRK1 P41145 1/20 0.34
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
SERPINH1 P50454 1/20 0.33
LPAR1 Q92633 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32

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
SCHEMBL666811 1.00 CSNK2A1 (0.38) CSNK2A1ALDH1A1KDM4ETP53ATR
SCHEMBL666532 0.85 TP53 (0.46) CSNK2A1ALDH1A1KDM4ETP53ATR
SCHEMBL10256283 0.84 KDM4E (0.38) KDM4ETP53PSMD14NQO2NR4A2
SCHEMBL1462290 0.84 CSNK2A1 (0.39) CSNK2A1ALDH1A1KDM4ETP53ATR
SCHEMBL31721652 0.84 KDM4E (0.38) KDM4ETP53PSMD14NQO2NR4A2
SCHEMBL528759 0.83 KDM4E (0.40) CSNK2A1ALDH1A1KDM4ETP53ATR
SCHEMBL667220 0.83 RPS6KB1 (0.47) ALDH1A1KDM4ENR4A2GAAAURKA
SCHEMBL527746 0.77 PSMD14 (0.46) ALDH1A1KDM4EPSMD14NR4A2GAA
SCHEMBL666921 0.76 AURKA (0.51) ALDH1A1KDM4EMEN1KMT2AAURKA
SCHEMBL27830103 0.75 KDM4E (0.43) ALDH1A1KDM4ETP53GAAMEN1

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-2025228828-A1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT AND PREVENTION OF VIRAL DISEASES MERCK PATENT GMBH (DE) 2025-11-06 WO disclosed