SCHEMBL26533798

SCHEMBL26533798

Cc1c(-c2ccc(F)c3sc(NC(=O)OC(C)(C)C)c(C#N)c23)c2c(c3c(N4C[C@H]5C[C@@H]4CN5C(=O)OC(C)(C)C)ncnc13)COC2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.35
RET P07949 2/20 0.34
HDAC1 Q13547 1/20 0.33
KRAS P01116 1/20 0.32
PARP1 P09874 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
SCHEMBL30587246 1.00 GPR119 (0.35) GPR119RETHDAC1KRASPARP1
SCHEMBL26533794 1.00 GPR119 (0.35) GPR119RETHDAC1KRASPARP1
SCHEMBL26113915 0.95 KRAS (0.32) GPR119KRAS
SCHEMBL26532739 0.94 GPR119 (0.34) GPR119RETHDAC1KRAS
SCHEMBL30587289 0.94 GPR119 (0.34) GPR119RETHDAC1KRAS
SCHEMBL26114010 0.89 KRAS (0.34) KRAS
SCHEMBL30776299 0.88 RET (0.33) GPR119RETHDAC1PARP1
SCHEMBL26532506 0.88 RET (0.33) GPR119RETHDAC1PARP1
SCHEMBL30776384 0.87 KRAS (0.35) GPR119KRAS
SCHEMBL26533910 0.87 KRAS (0.35) GPR119KRAS

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-2023183585-A1 KRAS INHIBITORS ELI LILLY AND COMPANY (US) 2023-09-28 WO disclosed