SCHEMBL24699210

SCHEMBL24699210

COc1ccc(-c2nc(N3CC[C@@H]3C)nc3c2CCC3)cc1S(=N)(=O)c1ccc(C#N)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.35
NR3C2 P08235 2/20 0.34
MAPK1 P28482 4/20 0.34
HSD17B10 Q99714 3/20 0.34
USP2 O75604 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
PGR P06401 1/20 0.33
SLC22A12 Q96S37 2/20 0.33
LMNA P02545 2/20 0.32
HMOX1 P09601 1/20 0.32
S1PR1 P21453 1/20 0.32
KDM1A O60341 3/20 0.32
KCNH2 Q12809 1/20 0.32
PTGS2 P35354 2/20 0.31
NR1I2 O75469 1/20 0.31
CHRM4 P08173 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL30015825 1.00 MTOR (0.35) MTORNR3C2MAPK1HSD17B10USP2
SCHEMBL24699229 0.93 MTOR (0.36) MTORMAPK1HSD17B10USP2KDM4E
SCHEMBL30016058 0.93 MTOR (0.36) MTORMAPK1HSD17B10USP2KDM4E
SCHEMBL30016531 0.89 PI4KB (0.36) MTORMAPK1HSD17B10USP2KDM4E
SCHEMBL24697976 0.89 PI4KB (0.36) MTORMAPK1HSD17B10USP2KDM4E
SCHEMBL24699059 0.87 MAPK1 (0.34) MTORMAPK1HSD17B10USP2KDM4E
SCHEMBL30014813 0.87 MAPK1 (0.34) MTORMAPK1HSD17B10USP2KDM4E
SCHEMBL24699069 0.84 PI4KB (0.35) MTORMAPK1HSD17B10USP2KDM4E
SCHEMBL30015941 0.84 PI4KB (0.35) MTORMAPK1HSD17B10USP2KDM4E
SCHEMBL24699243 0.83 KDM1A (0.33) MTORMAPK1HSD17B10USP2KDM4E

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-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed