SCHEMBL25019977

SCHEMBL25019977

CCC1CN(c2nc(OC[C@H]3CCCN3C)nc3c2CCN(c2cc(O)cc4ccccc24)C3)CCN1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.69

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
SCHEMBL20974882 0.92 KRAS (0.66) KRAS
SCHEMBL19948821 0.92 KRAS (0.66) KRAS
SCHEMBL30188614 0.92 KRAS (0.66) KRAS
SCHEMBL30302293 0.92 KRAS (0.66) KRAS
SCHEMBL28489112 0.92 KRAS (0.66) KRAS
SCHEMBL31089743 0.87 KRAS (0.74) KRAS
Trifluoroacetic Acid SCHEMBL31185654 0.87 KRAS (0.63) KRAS
Trifluoroacetic Acid SCHEMBL28589217 0.87 KRAS (0.63) KRAS
SCHEMBL25323802 0.87 KRAS (0.73) KRAS
SCHEMBL24622930 0.87 KRAS (0.73) 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
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 — — EP disclosed
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