SCHEMBL31049062

SCHEMBL31049062

C#Cc1c(F)ccc2cc(OCOC)cc(-c3ncc4c(N5CC6CCC(C5)N6C(=O)OC(C)(C)C)nc(Cl)c(C5CC5)c4c3F)c12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KRAS P01116 17/20 0.40
MAPK3 P27361 1/20 0.38
MAPK1 P28482 1/20 0.38
RAF1 P04049 3/20 0.35
JAK1 P23458 2/20 0.35
JAK2 O60674 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL31049134 0.93 KRAS (0.39) KRASMAPK3MAPK1RAF1JAK1
SCHEMBL31048892 0.91 JAK1 (0.33) KRASMAPK3MAPK1JAK1JAK2
SCHEMBL31049216 0.91 KRAS (0.47) KRASMAPK3MAPK1RAF1
SCHEMBL31049015 0.90 KRAS (0.40) KRASMAPK3MAPK1RAF1JAK1
SCHEMBL31048799 0.90 KRAS (0.39) KRASMAPK3MAPK1RAF1JAK1
SCHEMBL31048832 0.88 KRAS (0.38) KRASMAPK3MAPK1RAF1JAK1
SCHEMBL31048923 0.88 KRAS (0.40) KRASMAPK3MAPK1RAF1JAK1
SCHEMBL31049244 0.88 KRAS (0.40) KRASMAPK3MAPK1RAF1JAK1
SCHEMBL31048976 0.87 KRAS (0.39) KRASMAPK3MAPK1RAF1JAK1
SCHEMBL31048861 0.87 KRAS (0.39) KRASMAPK3MAPK1RAF1JAK1

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