SCHEMBL30867912

SCHEMBL30867912

COC1(c2nccc(C)c2[C@@H]2CCN(c3cc(N4C[C@@H](N5CCN(C(=O)OC(C)(C)C)CC5)[C@H]4C)nc(C(F)(F)F)n3)C[C@H]2C)COC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.35
SYK P43405 1/20 0.33
EIF2AK4 Q9P2K8 2/20 0.32
KHK P50053 1/20 0.32
CYP8B1 Q9UNU6 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
USP30 Q70CQ3 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
RAF1 P04049 1/20 0.31
BRAF P15056 1/20 0.31
ALK Q9UM73 1/20 0.31

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
SCHEMBL38654191 0.96 GPR119 (0.35) GPR119SYKEIF2AK4KHKCYP8B1
SCHEMBL38653831 0.96 GPR119 (0.35) GPR119SYKEIF2AK4KHKCYP8B1
SCHEMBL30867709 0.94 GPR119 (0.36) GPR119SYKEIF2AK4KHKUSP30
SCHEMBL38653161 0.91 KHK (0.32) KHKHCRTR1HCRTR2RAF1BRAF
SCHEMBL30868006 0.91 KHK (0.32) KHKHCRTR1HCRTR2RAF1BRAF
SCHEMBL30867868 0.89 SYK (0.33) GPR119SYKEIF2AK4HCRTR1HCRTR2
SCHEMBL30867755 0.89 SYK (0.33) GPR119SYKEIF2AK4HCRTR1HCRTR2
SCHEMBL30868030 0.89 SYK (0.33) GPR119SYKEIF2AK4HCRTR1HCRTR2
SCHEMBL30867756 0.88 ERG (0.31) RAF1BRAF
SCHEMBL38653880 0.87 KHK (0.31) KHKHCRTR1HCRTR2RAF1BRAF

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-4598917-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF Amgen Inc. (US) 2025-08-13 EP disclosed
WO-2024076674-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-04-11 WO disclosed