SCHEMBL30587290

SCHEMBL30587290

Cc1cnc(Cl)c2c(C#N)c(NC(=O)OC(C)(C)C)sc12.Cc1cnc(Cl)c2cc(NC(=O)OC(C)(C)C)sc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.34
ALDH1A1 P00352 11/20 0.33
TP53 P04637 5/20 0.33
RAB9A P51151 5/20 0.33
HSD17B10 Q99714 5/20 0.33
NPC1 O15118 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 3/20 0.33
MAPKAPK2 P49137 2/20 0.33
MAPT P10636 4/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 2/20 0.31
POLB P06746 1/20 0.31
CASP3 P42574 1/20 0.31
ESR2 Q92731 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
ATR Q13535 1/20 0.31
ATM Q13315 1/20 0.31
SYK P43405 1/20 0.30
LMNA P02545 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
SCHEMBL26530970 0.91 LCK (0.37) LCKALDH1A1TP53RAB9AHSD17B10
SCHEMBL30776330 0.91 LCK (0.37) LCKALDH1A1TP53RAB9AHSD17B10
SCHEMBL26530966 0.86 LCK (0.42) LCKMAPKAPK2ATR
SCHEMBL30587248 0.86 LCK (0.42) LCKMAPKAPK2ATR
SCHEMBL30587220 0.80 ATR (0.35) LCKALDH1A1TP53RAB9AHSD17B10
SCHEMBL26119259 0.80 ATR (0.35) LCKALDH1A1TP53RAB9AHSD17B10
SCHEMBL30587255 0.79 ATR (0.42) LCKTP53NPC1MAPKAPK2ATR
SCHEMBL30587207 0.78 ATR (0.39) LCKALDH1A1TP53RAB9AHSD17B10
SCHEMBL26117705 0.77 ALDH1A1 (0.41) ALDH1A1TP53RAB9AHSD17B10NPC1
SCHEMBL30587291 0.73 ALDH1A1 (0.36) ALDH1A1TP53RAB9AHSD17B10NPC1

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