SCHEMBL24712652

SCHEMBL24712652

C#Cc1c(F)ccc2cc(OCOC)cc(-c3ccc4c(N5CCCOCC5)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3C)c12

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KRAS P01116 18/20 0.56
MAPK3 P27361 3/20 0.53
MAPK1 P28482 3/20 0.53
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
SCHEMBL27243240 0.95 KRAS (0.60) KRASMAPK3MAPK1RAF1
SCHEMBL27243402 0.94 KRAS (0.61) KRASMAPK3MAPK1RAF1
SCHEMBL24711979 0.91 KRAS (0.67) KRASMAPK3MAPK1RAF1
SCHEMBL24712088 0.91 KRAS (0.67) KRASMAPK3MAPK1RAF1
SCHEMBL27191111 0.90 KRAS (0.69) KRASMAPK3MAPK1RAF1
SCHEMBL30810109 0.90 KRAS (0.69) KRASMAPK3MAPK1RAF1
SCHEMBL27191237 0.90 KRAS (0.69) KRASMAPK3MAPK1RAF1
SCHEMBL30810155 0.88 KRAS (0.69) KRASMAPK3MAPK1RAF1
SCHEMBL27243193 0.88 KRAS (0.69) KRASMAPK3MAPK1RAF1
SCHEMBL30810145 0.87 KRAS (0.57) 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
WO-2022258974-A1 QUINAZOLINE DERIVATIVES USEFUL AS RAS INHIBITIORS REDX PHARMA PLC (GB) 2022-12-15 WO disclosed