Sugi Predict

Sugi Predict / Compounds / SCHEMBL31048929

SCHEMBL31048929

SCHEMBL31048929

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 3/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ KRAS P01116 16/20 0.39
▸ MAPK3 P27361 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HDAC1 Q13547 1/20 0.35
▸ 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
SCHEMBL31049173 0.93 KRAS (0.39) JAK1JAK2TYK2JAK3KRAS
SCHEMBL31048774 0.92 KRAS (0.36) JAK1JAK2TYK2JAK3KRAS
SCHEMBL31048992 0.90 JAK1 (0.37) JAK1JAK2TYK2JAK3KRAS
SCHEMBL31048839 0.85 JAK1 (0.39) JAK1JAK2TYK2JAK3KRAS
SCHEMBL31049079 0.84 JAK1 (0.37) JAK1JAK2TYK2JAK3KRAS
SCHEMBL31048891 0.84 JAK1 (0.36) JAK1JAK2TYK2JAK3KRAS
SCHEMBL31048860 0.83 KRAS (0.39) JAK1JAK2TYK2JAK3KRAS
SCHEMBL31049121 0.83 JAK2 (0.31) JAK1JAK2TYK2JAK3
SCHEMBL31048810 0.81 KRAS (0.39) JAK1JAK2TYK2JAK3KRAS
SCHEMBL31049244 0.81 KRAS (0.40) JAK1JAK2TYK2JAK3KRAS

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