SCHEMBL31048919

SCHEMBL31048919

Cc1nc(N2C[C@H]3C[C@@H](O)[C@@H](C2)N3C(=O)OC(C)(C)C)c2cnc(-c3cc(C(=O)O)cc4ccc(F)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c34)c(F)c2c1C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 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
SCHEMBL31049033 0.95 JAK2 (0.30)
SCHEMBL31049025 0.95 JAK2 (0.30)
SCHEMBL31049243 0.92 JAK1 (0.36) KRAS
SCHEMBL31049121 0.91 JAK2 (0.31)
SCHEMBL31049171 0.87 JAK1 (0.36) KRAS
SCHEMBL31049005 0.86 JAK1 (0.35) KRAS
SCHEMBL31048987 0.85
SCHEMBL31048964 0.84 RET (0.32) KRAS
SCHEMBL31048992 0.83 JAK1 (0.37) KRAS
SCHEMBL31048774 0.81 KRAS (0.36) KRAS

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