SCHEMBL27191237

SCHEMBL27191237

C#Cc1c(F)ccc2cc(OCOC)cc(-c3ncc4c(N5CCCOCC5)nc(OCC56CCCN5CC(F)C6)nc4c3F)c12

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.69
MAPK3 P27361 1/20 0.66
MAPK1 P28482 1/20 0.66
RAF1 P04049 1/20 0.60

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
SCHEMBL30810109 1.00 KRAS (0.69) KRASMAPK3MAPK1RAF1
SCHEMBL27191111 1.00 KRAS (0.69) KRASMAPK3MAPK1RAF1
SCHEMBL27243193 0.98 KRAS (0.69) KRASMAPK3MAPK1RAF1
SCHEMBL30810155 0.98 KRAS (0.69) KRASMAPK3MAPK1RAF1
SCHEMBL25081076 0.95 KRAS (0.67) KRASMAPK3MAPK1RAF1
SCHEMBL31323060 0.95 KRAS (0.67) KRASMAPK3MAPK1RAF1
SCHEMBL25400992 0.94 KRAS (0.70) KRASMAPK3MAPK1RAF1
SCHEMBL30537095 0.94 KRAS (0.70) KRASMAPK3MAPK1RAF1
SCHEMBL27243240 0.94 KRAS (0.60) KRASMAPK3MAPK1RAF1
SCHEMBL27191167 0.93 KRAS (0.62) KRASMAPK3MAPK1RAF1

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-4347589-A2 PYRIDO[4,3-D]PYRIMIDINE COMPOUNDS CAPABLE OF INHIBITING KRAS MUTANT PROTEINS Redx Pharma Plc (GB) 2024-04-10 EP disclosed