SCHEMBL30868030

SCHEMBL30868030

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@@H](C)C2)COC1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.33
GPR119 Q8TDV5 5/20 0.32
CHEK1 O14757 2/20 0.32
PDCD1 Q15116 2/20 0.32
CD274 Q9NZQ7 2/20 0.32
EIF2AK4 Q9P2K8 3/20 0.31
USP30 Q70CQ3 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
JAK3 P52333 1/20 0.30
PTK2 Q05397 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
P2RX3 P56373 3/20 0.30
P2RX2 Q9UBL9 3/20 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
SCHEMBL30867868 1.00 SYK (0.33) SYKGPR119CHEK1PDCD1CD274
SCHEMBL30867755 1.00 SYK (0.33) SYKGPR119CHEK1PDCD1CD274
SCHEMBL30868005 0.96 SYK (0.32) SYKGPR119CHEK1PDCD1CD274
SCHEMBL30867709 0.92 GPR119 (0.36) SYKGPR119EIF2AK4USP30DDB1
SCHEMBL30867694 0.90 CCR2 (0.30) CHEK1PDCD1CD274HCRTR1HCRTR2
SCHEMBL30867912 0.89 GPR119 (0.35) SYKGPR119EIF2AK4USP30DDB1
SCHEMBL30867847 0.88 EIF2AK4 (0.34) SYKGPR119CHEK1PDCD1CD274
SCHEMBL30867682 0.88 GPR119 (0.30) GPR119CHEK1PDCD1CD274
SCHEMBL30867815 0.88 GPR119 (0.30) GPR119CHEK1PDCD1CD274
SCHEMBL30867897 0.88

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