SCHEMBL29680268

SCHEMBL29680268

O=C1CC2(CCCN(c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc4c(F)c(Cl)ncc34)C2)CN1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.54

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
SCHEMBL24535706 1.00 KRAS (0.54) KRAS
SCHEMBL24536273 0.91 KRAS (0.48) KRAS
SCHEMBL29679947 0.91 KRAS (0.48) KRAS
SCHEMBL30134613 0.90 KRAS (0.59) KRAS
SCHEMBL31642734 0.89 KRAS (0.62) KRAS
SCHEMBL29680433 0.88 KRAS (0.65) KRAS
SCHEMBL24536758 0.88 KRAS (0.65) KRAS
SCHEMBL24537334 0.87 KRAS (0.69) KRAS
SCHEMBL30922955 0.87 KRAS (0.69) KRAS
SCHEMBL29680150 0.87 KRAS (0.69) 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
EP-4262807-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-10-25 — — EP disclosed
WO-2022132200-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2022-06-23 — — WO disclosed
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