SCHEMBL25401862

SCHEMBL25401862

COCOc1cc(-c2ncc3c(N4CC5CC(C5)C4)nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(F)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.58
MAPK3 P27361 1/20 0.58
MAPK1 P28482 1/20 0.58
RAF1 P04049 1/20 0.52

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
SCHEMBL25404453 0.95 KRAS (0.58) KRASMAPK3MAPK1RAF1
SCHEMBL28906481 0.93 KRAS (0.53) KRASMAPK3MAPK1RAF1
SCHEMBL29341154 0.92 KRAS (0.57) KRASMAPK3MAPK1RAF1
SCHEMBL29049543 0.92 KRAS (0.56) KRASMAPK3MAPK1RAF1
SCHEMBL27191173 0.92 KRAS (0.58) KRASMAPK3MAPK1RAF1
SCHEMBL25435280 0.92 KRAS (0.57) KRASMAPK3MAPK1RAF1
SCHEMBL29679922 0.91 KRAS (0.59) KRASMAPK3MAPK1RAF1
SCHEMBL26932701 0.91 KRAS (0.56) KRASMAPK3MAPK1RAF1
SCHEMBL29680017 0.91 KRAS (0.59) KRASMAPK3MAPK1RAF1
SCHEMBL25435539 0.91 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-2023173017-A1 KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed