SCHEMBL30867734

SCHEMBL30867734

COC1(c2nccc(C)c2C2CCN(Cc3ccccc3)C(=O)C2C)COC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.34
GRM2 Q14416 1/20 0.34
MAPK1 P28482 1/20 0.32
KCNH2 Q12809 2/20 0.32
OPRM1 P35372 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
FKBP1A P62942 1/20 0.32
ACHE P22303 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL38654152 0.90 GRM2 (0.35) METGRM2MAPK1KCNH2OPRM1
SCHEMBL30867762 0.83 PDE4A (0.38) METMEN1KMT2A
SCHEMBL30867850 0.82 ACHE (0.38) SIGMAR1ACHE
SCHEMBL30867771 0.82 ACHE (0.38) SIGMAR1ACHE
SCHEMBL30867858 0.68 HTR2A (0.31)
SCHEMBL38654423 0.68 HTR2A (0.31)
SCHEMBL12563130 0.66 KCNH2 (0.47) KCNH2
SCHEMBL30867883 0.65 TLR8 (0.33)
SCHEMBL30867866 0.65 PDE1C (0.43)
SCHEMBL30867882 0.65 HTR1A (0.36)

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