SCHEMBL29049539

SCHEMBL29049539

C#Cc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CC[S+]([O-])CC5)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.80
MAPK3 P27361 1/20 0.80
MAPK1 P28482 1/20 0.80
RAF1 P04049 1/20 0.73

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
SCHEMBL25401994 0.94 KRAS (0.86) KRASMAPK3MAPK1RAF1
SCHEMBL25402010 0.94 KRAS (0.86) KRASMAPK3MAPK1RAF1
SCHEMBL25402404 0.93 KRAS (0.85) KRASMAPK3MAPK1RAF1
SCHEMBL30537097 0.93 KRAS (0.85) KRASMAPK3MAPK1RAF1
SCHEMBL25404089 0.93 KRAS (0.87) KRASMAPK3MAPK1RAF1
SCHEMBL25079284 0.93 KRAS (0.85) KRASMAPK3MAPK1RAF1
SCHEMBL25403081 0.93 KRAS (0.84) KRASMAPK3MAPK1RAF1
SCHEMBL24733226 0.92 KRAS (0.83) KRASMAPK3MAPK1RAF1
SCHEMBL27243454 0.92 KRAS (0.87) KRASMAPK3MAPK1RAF1
SCHEMBL31155045 0.92 KRAS (0.85) 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
CN-116514846-A Heterocyclic derivative, preparation method and medical application thereof 浙江海正药业股份有限公司 2023-08-01 CN disclosed