SCHEMBL31049006

SCHEMBL31049006

Cc1c(Cl)nc(N2C[C@H]3C[C@@H](O)[C@@H](C2)N3C(=O)OC(C)(C)C)c2cnc(Cl)c(F)c12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.37
JAK2 O60674 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
GPR119 Q8TDV5 5/20 0.33
RET P07949 1/20 0.33
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL31048794 0.94 JAK1 (0.36) JAK1JAK2TYK2JAK3GPR119
SCHEMBL31049165 0.88 JAK1 (0.47) JAK1JAK2TYK2JAK3GPR119
SCHEMBL31048931 0.86 JAK1 (0.40) JAK1JAK2TYK2JAK3GPR119
SCHEMBL31048881 0.83 PSEN1 (0.36) JAK1GPR119RET
SCHEMBL31049053 0.81 JAK1 (0.47) JAK1JAK2TYK2JAK3GPR119
SCHEMBL31048788 0.81 JAK1 (0.34) JAK1JAK2TYK2JAK3GPR119
SCHEMBL31049031 0.78 JAK1 (0.47) JAK1JAK2TYK2JAK3GPR119
SCHEMBL31049065 0.78 JAK1 (0.42) JAK1JAK2TYK2JAK3GPR119
SCHEMBL31048890 0.77 JAK1 (0.46) JAK1JAK2TYK2JAK3GPR119
SCHEMBL31048863 0.77 PSEN1 (0.36) GPR119RET

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