SCHEMBL29680428

SCHEMBL29680428

COCOc1cc(-c2ncc3c(OCC(F)(F)F)nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)c2c(Cl)c(F)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.58
MAPK3 P27361 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL29680111 0.94 KRAS (0.59) KRASMAPK3MAPK1
SCHEMBL29680074 0.92 KRAS (0.61) KRASMAPK3MAPK1
SCHEMBL30758934 0.92 KRAS (0.62) KRASMAPK3MAPK1
SCHEMBL30706780 0.92 KRAS (0.60) KRAS
SCHEMBL30758947 0.91 KRAS (0.51) KRASMAPK3MAPK1
SCHEMBL29680132 0.91 KRAS (0.57) KRASMAPK3MAPK1
SCHEMBL30706942 0.90 KRAS (0.71) KRASMAPK3MAPK1
SCHEMBL25401109 0.89 KRAS (0.52) KRASMAPK3MAPK1
SCHEMBL30758946 0.89 KRAS (0.52) KRASMAPK3MAPK1
SCHEMBL30706611 0.88 KRAS (0.65) 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