SCHEMBL31049009

SCHEMBL31049009

Cc1cc(N)nc(-c2ncc3c(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)nc(C)c(C)c3c2F)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.40
JAK2 O60674 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
KRAS P01116 14/20 0.36
HDAC1 Q13547 1/20 0.36
GPR119 Q8TDV5 2/20 0.33

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
SCHEMBL31048763 0.87 JAK2 (0.33) JAK1JAK2TYK2JAK3KRAS
SCHEMBL31048839 0.82 JAK1 (0.39) JAK1JAK2TYK2JAK3KRAS
SCHEMBL31048854 0.81 KRAS (0.49) KRAS
SCHEMBL31049012 0.80 JAK2 (0.31) JAK1JAK2TYK2JAK3
SCHEMBL31049053 0.80 JAK1 (0.47) JAK1JAK2TYK2JAK3HDAC1
SCHEMBL31048936 0.80 JAK1 (0.37) JAK1JAK2TYK2JAK3HDAC1
SCHEMBL31049035 0.78 JAK1 (0.45) JAK1JAK2TYK2JAK3HDAC1
SCHEMBL31048848 0.78 JAK1 (0.40) JAK1JAK2TYK2JAK3KRAS
SCHEMBL25438368 0.77 KRAS (0.63) KRAS
SCHEMBL31049038 0.76 KRAS (0.41) 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