Sugi Predict

Sugi Predict / Compounds / SCHEMBL31048976

SCHEMBL31048976

SCHEMBL31048976

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 17/20 0.39
▸ MAPK3 P27361 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ JAK1 P23458 3/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ RAF1 P04049 3/20 0.35

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
SCHEMBL31049244 0.92 KRAS (0.40) KRASMAPK3MAPK1JAK1JAK2
SCHEMBL31049015 0.92 KRAS (0.40) KRASMAPK3MAPK1JAK1JAK2
SCHEMBL31048923 0.92 KRAS (0.40) KRASMAPK3MAPK1JAK1JAK2
SCHEMBL31048861 0.92 KRAS (0.39) KRASMAPK3MAPK1JAK1JAK2
SCHEMBL31048857 0.92 KRAS (0.39) KRASMAPK3MAPK1JAK1JAK2
SCHEMBL31049134 0.92 KRAS (0.39) KRASMAPK3MAPK1JAK1JAK2
SCHEMBL31048860 0.91 KRAS (0.39) KRASMAPK3MAPK1JAK1JAK2
SCHEMBL31048925 0.91 JAK1 (0.35) KRASMAPK3MAPK1JAK1JAK2
SCHEMBL31049184 0.89 KRAS (0.40) KRASMAPK3MAPK1JAK1JAK2
SCHEMBL31048810 0.89 KRAS (0.39) KRASMAPK3MAPK1JAK1JAK2

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