Sugi Predict

Sugi Predict / Compounds / SCHEMBL29680430

SCHEMBL29680430

SCHEMBL29680430

CC(C)[Si](Oc1cc(-c2ncc3c(OCC(F)(F)F)nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)c2c(Br)c(F)ccc2c1)(C(C)C)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.52
▸ MAPK3 P27361 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ RAF1 P04049 1/20 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
SCHEMBL29680132 0.93 KRAS (0.57) KRASMAPK3MAPK1
SCHEMBL29681035 0.92 KRAS (0.60) KRASMAPK3MAPK1
SCHEMBL29680635 0.90 KRAS (0.54) KRASMAPK3MAPK1RAF1
SCHEMBL30707607 0.88 KRAS (0.53) KRAS
SCHEMBL25335383 0.85 KRAS (0.50) KRASMAPK3MAPK1
SCHEMBL30539039 0.85 KRAS (0.50) KRASMAPK3MAPK1
SCHEMBL29680111 0.85 KRAS (0.59) KRASMAPK3MAPK1RAF1
SCHEMBL30706861 0.84 KRAS (0.63) KRASMAPK3MAPK1
SCHEMBL30278407 0.84 KRAS (0.60) KRASMAPK3MAPK1
SCHEMBL25335264 0.84 KRAS (0.48) KRASMAPK3MAPK1

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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