SCHEMBL31049012

SCHEMBL31049012

Cc1nc(N)cc(-c2ncc3c(N4C[C@H]5C[C@@H](O)[C@@H](C4)N5C(=O)OC(C)(C)C)nc(C)c(C)c3c2F)c1C(F)(F)F

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
SCHEMBL31048794 0.82 JAK1 (0.36) JAK2JAK1TYK2JAK3
SCHEMBL31048763 0.80 JAK2 (0.33) JAK2JAK1TYK2JAK3
SCHEMBL31049009 0.80 JAK1 (0.40) JAK2JAK1TYK2JAK3
SCHEMBL31048880 0.78 KRAS (0.44)
SCHEMBL31048919 0.77 KRAS (0.30)
SCHEMBL31049006 0.76 JAK1 (0.37) JAK2JAK1TYK2JAK3
SCHEMBL31048774 0.76 KRAS (0.36) JAK2JAK1TYK2JAK3
SCHEMBL31256452 0.74
SCHEMBL31049053 0.70 JAK1 (0.47) JAK2JAK1TYK2JAK3
SCHEMBL29931409 0.70 KRAS (0.49)

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