SCHEMBL29680887

SCHEMBL29680887

O=C1NCC2(CCCN(c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc4c(F)c(Cl)ncc34)C2)N1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.55

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
SCHEMBL29680433 0.91 KRAS (0.65) KRAS
SCHEMBL24536758 0.91 KRAS (0.65) KRAS
SCHEMBL31642466 0.86 KRAS (0.66) KRAS
SCHEMBL31642983 0.86 KRAS (0.66) KRAS
SCHEMBL24535706 0.86 KRAS (0.54) KRAS
SCHEMBL29680268 0.86 KRAS (0.54) KRAS
SCHEMBL25051664 0.86 KRAS (0.66) KRAS
SCHEMBL30262796 0.85 KRAS (0.58) KRAS
SCHEMBL25079055 0.85 KRAS (0.61) KRAS
SCHEMBL25403042 0.85 KRAS (0.61) 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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