SCHEMBL30587291

SCHEMBL30587291

CC(C)(C)OC(=O)Nc1sc2c(F)cnc(Cl)c2c1C#N.CCOC(=O)Nc1sc2c(F)cncc2c1C#N

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
KCNQ4 P56696 2/20 0.30
KCNQ5 Q9NR82 2/20 0.30
ATR Q13535 1/20 0.30

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
SCHEMBL26119259 0.87 ATR (0.35) ALDH1A1NPC1RAB9ATP53MAPT
SCHEMBL30587220 0.87 ATR (0.35) ALDH1A1NPC1RAB9ATP53MAPT
SCHEMBL26118191 0.84 MEN1 (0.34) ALDH1A1NPC1RAB9AALOX15MAPK1
SCHEMBL26114309 0.84 ALDH1A1 (0.48) ALDH1A1NPC1RAB9AALOX15MAPK1
SCHEMBL30587219 0.84 MEN1 (0.34) ALDH1A1NPC1RAB9AALOX15MAPK1
SCHEMBL30587281 0.84 ALDH1A1 (0.48) ALDH1A1NPC1RAB9AALOX15MAPK1
SCHEMBL26530970 0.79 LCK (0.37) ALDH1A1NPC1RAB9ATP53MAPT
SCHEMBL30776330 0.79 LCK (0.37) ALDH1A1NPC1RAB9ATP53MAPT
SCHEMBL31085630 0.77 LCK (0.35) ALDH1A1NPC1RAB9AALOX15MAPK1
SCHEMBL31491061 0.76 EGLN2 (0.35) ALDH1A1NPC1RAB9ATP53MAPT

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-4499233-A1 KRAS INHIBITORS Eli Lilly and Company (US) 2025-02-05 EP disclosed
WO-2023183585-A1 KRAS INHIBITORS ELI LILLY AND COMPANY (US) 2023-09-28 WO disclosed