SCHEMBL31049148

SCHEMBL31049148

C#Cc1c(F)ccc2cc(OCOC)cc(-c3ncc4c(N5CC6CCC(C5)N6C(=O)OC(C)(C)C)nc(CCCN5CCOCC5)c(C)c4c3F)c12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KRAS P01116 18/20 0.38
MAPK3 P27361 1/20 0.37
MAPK1 P28482 1/20 0.37
RAF1 P04049 2/20 0.35
GPR119 Q8TDV5 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL31049203 0.92 KRAS (0.33) KRASMAPK3MAPK1GPR119JAK2
SCHEMBL31048906 0.90 KRAS (0.39) KRASMAPK3MAPK1RAF1JAK2
SCHEMBL31048934 0.90 KRAS (0.39) KRASMAPK3MAPK1RAF1JAK2
SCHEMBL31048860 0.85 KRAS (0.39) KRASMAPK3MAPK1RAF1JAK2
SCHEMBL31048810 0.85 KRAS (0.39) KRASMAPK3MAPK1RAF1GPR119
SCHEMBL31049181 0.85 KRAS (0.40) KRASMAPK3MAPK1RAF1JAK2
SCHEMBL31049215 0.85 KRAS (0.38) KRASMAPK3MAPK1RAF1JAK2
SCHEMBL31049063 0.84 KRAS (0.39) KRASMAPK3MAPK1RAF1GPR119
SCHEMBL31048923 0.84 KRAS (0.40) KRASMAPK3MAPK1RAF1JAK2
SCHEMBL31049244 0.84 KRAS (0.40) KRASMAPK3MAPK1RAF1JAK2

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-2024167922-A2 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-08-15 WO disclosed