SCHEMBL31380824

SCHEMBL31380824

CC(C)(C)OC(=O)N1C2CCC1CN(c1nc(OC[C@@]34CCCN3C[C@H](F)C4)nc3ncn(C4CCC4)c13)C2

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.43

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
SCHEMBL31380839 0.94 KRAS (0.41) KRAS
SCHEMBL31380728 0.92 KRAS (0.41) KRAS
SCHEMBL31380652 0.87 KRAS (0.40) KRAS
SCHEMBL28920223 0.83 KRAS (0.47) KRAS
SCHEMBL25358171 0.83 KRAS (0.40) KRAS
SCHEMBL30576918 0.83 KRAS (0.40) KRAS
SCHEMBL31010633 0.82 KRAS (0.46) KRAS
SCHEMBL25806291 0.82 KRAS (0.46) KRAS
SCHEMBL31380669 0.82 KRAS (0.39) KRAS
SCHEMBL25352938 0.82 KRAS (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025026903-A1 IMIDAZO PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2025-02-06 — — WO disclosed
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