SCHEMBL30868005

SCHEMBL30868005

COC1(c2nccc(C)c2C2CCN(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)CCOC1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.32
EIF2AK4 Q9P2K8 1/20 0.31
GPR119 Q8TDV5 3/20 0.31
CHEK1 O14757 2/20 0.31
PDCD1 Q15116 2/20 0.31
CD274 Q9NZQ7 2/20 0.31
CCR2 P41597 1/20 0.30
KCNH2 Q12809 1/20 0.30
USP30 Q70CQ3 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
THRB P10828 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
SCHEMBL30867755 0.96 SYK (0.33) SYKEIF2AK4GPR119CHEK1PDCD1
SCHEMBL30868030 0.96 SYK (0.33) SYKEIF2AK4GPR119CHEK1PDCD1
SCHEMBL30867868 0.96 SYK (0.33) SYKEIF2AK4GPR119CHEK1PDCD1
SCHEMBL30867815 0.92 GPR119 (0.30) GPR119CHEK1PDCD1CD274
SCHEMBL30867880 0.92 GPR119 (0.30) GPR119CHEK1PDCD1CD274
SCHEMBL30867682 0.92 GPR119 (0.30) GPR119CHEK1PDCD1CD274
SCHEMBL30867799 0.92 GPR119 (0.30) GPR119CHEK1PDCD1CD274
SCHEMBL38653415 0.91 CCR2 (0.31) CCR2KCNH2
SCHEMBL30867932 0.91 CCR2 (0.31) CCR2KCNH2
SCHEMBL30867848 0.91 CCR2 (0.31) CCR2KCNH2

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