SCHEMBL30864064

SCHEMBL30864064

COCOc1cc(-c2ccc3c(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)nc(OCC4(CO)CC4)nc3c2F)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(F)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KRAS P01116 18/20 0.34
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
JAK1 P23458 2/20 0.32
JAK2 O60674 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
RAF1 P04049 2/20 0.31

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
SCHEMBL31323525 0.94 KRAS (0.41) KRASMAPK3MAPK1RAF1
SCHEMBL31129481 0.94 KRAS (0.41) KRASMAPK3MAPK1RAF1
SCHEMBL30131061 0.92 JAK1 (0.33) KRASMAPK3MAPK1JAK1JAK2
SCHEMBL30801453 0.92 JAK1 (0.33) KRASMAPK3MAPK1JAK1JAK2
SCHEMBL31677249 0.92 KRAS (0.42) KRASMAPK3MAPK1RAF1
SCHEMBL30966201 0.92 KRAS (0.42) KRASMAPK3MAPK1RAF1
SCHEMBL30864096 0.92 KRAS (0.34) KRASMAPK3MAPK1JAK1JAK2
SCHEMBL30864137 0.91 KRAS (0.38) KRAS
SCHEMBL30864136 0.91 KRAS (0.38) KRAS
SCHEMBL29914136 0.91 KRAS (0.36) 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-117917416-A KRAS G12D degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 CN disclosed