SCHEMBL25356505

SCHEMBL25356505

CC(C)(C)OC(=O)N1C2COCC1CN(c1nc(OC[C@@]34CCCN3C[C@H](F)C4)nc3scnc13)C2

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.42

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
SCHEMBL30576899 1.00 KRAS (0.42) KRAS
SCHEMBL30576954 0.95 KRAS (0.39) KRAS
SCHEMBL25352938 0.94 KRAS (0.44) KRAS
SCHEMBL30576902 0.92 KRAS (0.39) KRAS
SCHEMBL25354678 0.92 KRAS (0.39) KRAS
SCHEMBL30576963 0.90 KRAS (0.42) KRAS
SCHEMBL25994231 0.90 KRAS (0.41) KRAS
SCHEMBL30576893 0.90 KRAS (0.41) KRAS
SCHEMBL30576896 0.90 KRAS (0.41) KRAS
SCHEMBL30576937 0.89 KRAS (0.41) KRAS

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
WO-2023152255-A1 FUSED PYRIMIDINES AS KRAS INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-08-17 — — WO disclosed
WO-2023152255-A1 FUSED PYRIMIDINES AS KRAS INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-08-17 — — WO disclosed
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