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SCHEMBL31049150

SCHEMBL31049150

COCOc1cc(-c2ncc3c(N4CC5CCC(C4)N5C(=O)OC(C)(C)C)ncc(C4CC4)c3c2F)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(F)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 3/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ KRAS P01116 2/20 0.31
▸ GPR119 Q8TDV5 3/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ ALOX5AP P20292 4/20 0.31
▸ FEN1 P39748 4/20 0.31
▸ RET P07949 1/20 0.30
▸ HDAC1 Q13547 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
SCHEMBL31049326 0.91 JAK1 (0.35) JAK1JAK2TYK2JAK3KRAS
SCHEMBL31048799 0.91 KRAS (0.39) JAK1JAK2TYK2JAK3KRAS
SCHEMBL31048892 0.90 JAK1 (0.33) JAK1JAK2TYK2JAK3KRAS
SCHEMBL30149101 0.90 KRAS (0.38) JAK1JAK2TYK2JAK3KRAS
SCHEMBL31048942 0.89 JAK1 (0.35) JAK1JAK2TYK2JAK3KRAS
SCHEMBL31049089 0.89 JAK1 (0.35) JAK1JAK2TYK2JAK3KRAS
SCHEMBL31048893 0.89 JAK1 (0.35) JAK1JAK2TYK2JAK3KRAS
SCHEMBL31048939 0.89 JAK1 (0.35) JAK1JAK2TYK2JAK3KRAS
SCHEMBL31049212 0.89 JAK1 (0.35) JAK1JAK2TYK2JAK3KRAS
SCHEMBL31493993 0.89 KRAS (0.36) JAK1JAK2TYK2JAK3KRAS

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