SCHEMBL31049201

SCHEMBL31049201

COCOc1cc(-c2ncc3c(N4CC5COCC(C4)N5C(=O)OC(C)(C)C)nc(C#N)c(C)c3c2F)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(F)ccc2c1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
KRAS P01116 2/20 0.31
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
SCHEMBL31049099 0.96 JAK1 (0.34) RETGPR119KRASJAK2JAK1
SCHEMBL31049007 0.92 KCNK3 (0.32) KRASJAK2JAK1TYK2JAK3
SCHEMBL31048964 0.92 RET (0.32) RETGPR119KRAS
SCHEMBL31049109 0.91 KRAS (0.37) RETGPR119KRASJAK2JAK1
SCHEMBL31048956 0.89 JAK2 (0.33) KRASJAK2JAK1TYK2JAK3
SCHEMBL31049190 0.89 JAK2 (0.33) RETGPR119KRASJAK2JAK1
SCHEMBL31048771 0.88 JAK1 (0.36) RETGPR119KRASJAK2JAK1
SCHEMBL31048942 0.88 JAK1 (0.35) GPR119KRASJAK2JAK1TYK2
SCHEMBL31048893 0.88 JAK1 (0.35) GPR119KRASJAK2JAK1TYK2
SCHEMBL31048981 0.88 JAK2 (0.33) KRASJAK2JAK1TYK2JAK3

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