SCHEMBL30587207

SCHEMBL30587207

CC(C)(C)OC(=O)Nc1cc2c(Cl)nccc2s1.CC(C)(C)OC(=O)Nc1sc2ccnc(Cl)c2c1C#N

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.39
SREBF2 Q12772 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
CYP17A1 P05093 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
LCK P06239 3/20 0.31
ALDH1A1 P00352 4/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL26530944 0.91 ATR (0.46) ATREGLN2CYP17A1AAK1MAPKAPK2
SCHEMBL31278566 0.91 ATR (0.46) ATREGLN2CYP17A1AAK1MAPKAPK2
SCHEMBL26118724 0.85 ATR (0.51) ATRSREBF2CYP17A1LCK
SCHEMBL30587238 0.85 ATR (0.51) ATRSREBF2CYP17A1LCK
SCHEMBL30587290 0.78 LCK (0.34) ATRMAPKAPK2LCKALDH1A1TSHR
SCHEMBL26117868 0.74 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL26530970 0.72 LCK (0.37) ATRMAPKAPK2LCKALDH1A1TSHR
SCHEMBL30776330 0.72 LCK (0.37) ATRMAPKAPK2LCKALDH1A1TSHR
SCHEMBL30587220 0.71 ATR (0.35) ATREGLN2MAPKAPK2LCKALDH1A1
SCHEMBL26119259 0.71 ATR (0.35) ATREGLN2MAPKAPK2LCKALDH1A1

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