SCHEMBL25080934

SCHEMBL25080934

C#Cc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CCCOCC5)nc(OCC56CCCN5C[C@H](F)C6)nc4c3F)c12

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.83
MAPK3 P27361 1/20 0.80
MAPK1 P28482 1/20 0.80
RAF1 P04049 1/20 0.72

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
SCHEMBL27191161 1.00 KRAS (0.83) KRASMAPK3MAPK1RAF1
SCHEMBL25081184 1.00 KRAS (0.83) KRASMAPK3MAPK1RAF1
SCHEMBL30254106 1.00 KRAS (0.83) KRASMAPK3MAPK1RAF1
SCHEMBL25079245 0.99 KRAS (0.85) KRASMAPK3MAPK1RAF1
SCHEMBL25079262 0.98 KRAS (0.82) KRASMAPK3MAPK1RAF1
SCHEMBL30597690 0.98 KRAS (0.83) KRASMAPK3MAPK1RAF1
SCHEMBL25079406 0.98 KRAS (0.83) KRASMAPK3MAPK1RAF1
SCHEMBL25402010 0.94 KRAS (0.86) KRASMAPK3MAPK1RAF1
SCHEMBL25401994 0.94 KRAS (0.86) KRASMAPK3MAPK1RAF1
SCHEMBL25081646 0.94 KRAS (0.74) 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-2023020519-A1 1, 4-OXAZEPANE DERIVATIVES AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-23 WO disclosed