SCHEMBL31662041

SCHEMBL31662041

COc1nc(-c2cc(O)cc(Cl)c2C2CC2)c(F)c2nc(OC[C@@]34CCCN3C[C@H](F)C4)nc(N[C@H](C)c3cccnc3N)c12

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KRAS P01116 17/20 0.55
MAPK3 P27361 3/20 0.54
MAPK1 P28482 3/20 0.54

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
SCHEMBL31662218 0.92 KRAS (0.45) KRASMAPK3MAPK1
SCHEMBL31662271 0.86 KRAS (0.57) KRASMAPK3MAPK1
SCHEMBL31662151 0.86 KRAS (0.57) KRASMAPK3MAPK1
SCHEMBL31662103 0.84 KRAS (0.49) KRASMAPK3MAPK1
SCHEMBL31662333 0.84 KRAS (0.49) KRASMAPK3MAPK1
SCHEMBL31662196 0.83 KRAS (0.44) KRAS
SCHEMBL31527583 0.82 MAPK3 (0.65) KRASMAPK3MAPK1
SCHEMBL31527189 0.81 MAPK3 (0.66) KRASMAPK3MAPK1
SCHEMBL31662209 0.81 KRAS (0.56) KRASMAPK3MAPK1
SCHEMBL28906505 0.80 KRAS (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025151594-A1 FUSED AZINES AS RAS INHIBITORS AND METHODS OF USE THEREOF KESTREL THERAPEUTICS INC. (US) 2025-07-17 WO disclosed