SCHEMBL31048964

SCHEMBL31048964

COCOc1cc(-c2ncc3c(N4C[C@H]5C[C@@H](O)[C@@H](C4)N5C(=O)OC(C)(C)C)nc(C#N)c(C)c3c2F)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 3)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.32
GPR119 Q8TDV5 1/20 0.30
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
SCHEMBL31048987 0.93
SCHEMBL31049099 0.93 JAK1 (0.34) RETGPR119KRAS
SCHEMBL31049201 0.92 RET (0.31) RETGPR119KRAS
SCHEMBL31048903 0.91 KRAS (0.36) RETGPR119KRAS
SCHEMBL31048771 0.85 JAK1 (0.36) RETGPR119KRAS
SCHEMBL31049255 0.85 JAK1 (0.35) GPR119KRAS
SCHEMBL31048942 0.85 JAK1 (0.35) GPR119KRAS
SCHEMBL31048893 0.85 JAK1 (0.35) GPR119KRAS
SCHEMBL31048919 0.84 KRAS (0.30) KRAS
SCHEMBL31049025 0.84 JAK2 (0.30)

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