SCHEMBL30587255

SCHEMBL30587255

COC(=O)c1cc2c(Cl)ncc(C)c2s1.Cc1cnc(Cl)c2cc(NC(=O)OC(C)(C)C)sc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.42
LCK P06239 8/20 0.38
CSNK2A2 P19784 1/20 0.36
KDR P35968 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
MAPKAPK2 P49137 2/20 0.34
TP53 P04637 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RORC P51449 1/20 0.33
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
VCAM1 P19320 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
SCHEMBL26530966 0.92 LCK (0.42) ATRLCKMAPKAPK2RORC
SCHEMBL30587248 0.92 LCK (0.42) ATRLCKMAPKAPK2RORC
SCHEMBL26116037 0.85 CSNK2A2 (0.46) CSNK2A2KDRCSNK2BCSNK2A1CCNC
SCHEMBL30587256 0.85 CSNK2A2 (0.46) CSNK2A2KDRCSNK2BCSNK2A1CCNC
SCHEMBL30587290 0.79 LCK (0.34) ATRLCKMAPKAPK2TP53NPC1
SCHEMBL26115151 0.77 HDAC3 (0.36) TP53
SCHEMBL30587276 0.74 DAO (0.49) CCNCCDK8TP53NPC1PKM
SCHEMBL26116056 0.74 DAO (0.49) CCNCCDK8TP53NPC1PKM
SCHEMBL30587238 0.71 ATR (0.51) ATRLCK
SCHEMBL26118724 0.71 ATR (0.51) ATRLCK

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