SCHEMBL23409331

SCHEMBL23409331

CN(C)CC1(COc2nc(N3CC4CCC(C3)N4C(=O)O)c3cc(Cl)c(Br)c(F)c3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.48

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
SCHEMBL23409977 0.92 KRAS (0.52) KRAS
SCHEMBL29903156 0.91 KRAS (0.46) KRAS
SCHEMBL23413429 0.91 KRAS (0.46) KRAS
SCHEMBL23409327 0.87 KRAS (0.48) KRAS
SCHEMBL29344388 0.86 KRAS (0.50) KRAS
SCHEMBL23409336 0.83 KRAS (0.68) KRAS
SCHEMBL29903158 0.83 KRAS (0.50) KRAS
SCHEMBL23413758 0.83 KRAS (0.50) KRAS
SCHEMBL30998647 0.83 KRAS (0.42) KRAS
SCHEMBL25336815 0.82 KRAS (0.40) 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-2021106231-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-03 — — WO disclosed
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