SCHEMBL31049121

SCHEMBL31049121

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

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 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
SCHEMBL31048992 0.92 JAK1 (0.37) JAK2JAK1TYK2JAK3
SCHEMBL31048919 0.91 KRAS (0.30)
SCHEMBL31048774 0.91 KRAS (0.36) JAK2JAK1TYK2JAK3
SCHEMBL31049033 0.91 JAK2 (0.30) JAK2JAK1TYK2JAK3
SCHEMBL31049025 0.91 JAK2 (0.30) JAK2JAK1TYK2JAK3
SCHEMBL31049079 0.86 JAK1 (0.37) JAK2JAK1TYK2JAK3
SCHEMBL31048891 0.86 JAK1 (0.36) JAK2JAK1TYK2JAK3
SCHEMBL31048964 0.83 RET (0.32)
SCHEMBL31049243 0.83 JAK1 (0.36) JAK2JAK1TYK2JAK3
SCHEMBL31048929 0.83 JAK1 (0.39) JAK2JAK1TYK2JAK3

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