SCHEMBL31048952

SCHEMBL31048952

COCOc1cc(-c2nc(OC)c3c(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)nc([S+](C)[O-])nc3c2F)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(F)ccc2c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
GPR119 Q8TDV5 1/20 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
SCHEMBL31049020 0.92 JAK2 (0.33) JAK2JAK1TYK2JAK3GPR119
SCHEMBL31049240 0.91 JAK2 (0.33) JAK2JAK1TYK2JAK3GPR119
SCHEMBL30910345 0.90 GPR119 (0.36) JAK2JAK1TYK2JAK3GPR119
SCHEMBL30910344 0.90 GPR119 (0.36) JAK2JAK1TYK2JAK3GPR119
SCHEMBL30977169 0.88
SCHEMBL31049113 0.86 JAK2 (0.33) JAK2JAK1TYK2JAK3GPR119
SCHEMBL31049157 0.86 JAK2 (0.34) JAK2JAK1TYK2JAK3GPR119
SCHEMBL31049163 0.86 JAK2 (0.34) JAK2JAK1TYK2JAK3GPR119
SCHEMBL31049023 0.86 JAK2 (0.33) JAK2JAK1TYK2JAK3GPR119
SCHEMBL31049122 0.86 JAK2 (0.34) JAK2JAK1TYK2JAK3GPR119

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