SCHEMBL31049162

SCHEMBL31049162

COCOc1cc(-c2ncc3c(C4C5CN(C(=O)OC(C)(C)C)CC54)nc(C)c(C)c3c2F)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(F)ccc2c1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL31049238 0.90 KRAS (0.35)
SCHEMBL31164419 0.89 ALOX5AP (0.32) ALOX5APFEN1
SCHEMBL31164358 0.88 ALOX5AP (0.31) ALOX5APFEN1
SCHEMBL31164516 0.87
SCHEMBL31164448 0.87 RET (0.32) ALOX5APFEN1
SCHEMBL31164442 0.86
SCHEMBL31164346 0.85
SCHEMBL31164483 0.85 ALOX5AP (0.32) ALOX5APFEN1
SCHEMBL31048955 0.84 GPR119 (0.33)
SCHEMBL31164388 0.84

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