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SCHEMBL31049005

SCHEMBL31049005

Cc1c(Cl)nc(N2CC3CCC(C2)N3C(=O)OC(C)(C)C)c2cnc(-c3cc(C(=O)O)cc4ccc(F)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c34)c(F)c12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 3/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ HDAC1 Q13547 1/20 0.33
▸ KCNK3 O14649 2/20 0.32
▸ KCNK9 Q9NPC2 2/20 0.32
▸ KRAS P01116 6/20 0.32
▸ GPR119 Q8TDV5 2/20 0.31
▸ MAPK3 P27361 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL31049243 0.94 JAK1 (0.36) JAK1JAK2TYK2JAK3HDAC1
SCHEMBL31049079 0.91 JAK1 (0.37) JAK1JAK2TYK2JAK3HDAC1
SCHEMBL31048893 0.90 JAK1 (0.35) JAK1JAK2TYK2JAK3HDAC1
SCHEMBL31049171 0.89 JAK1 (0.36) JAK1JAK2TYK2JAK3HDAC1
SCHEMBL31048919 0.86 KRAS (0.30) KRAS
SCHEMBL31049007 0.86 KCNK3 (0.32) JAK1JAK2TYK2JAK3KCNK3
SCHEMBL31048992 0.84 JAK1 (0.37) JAK1JAK2TYK2JAK3HDAC1
SCHEMBL31048942 0.83 JAK1 (0.35) JAK1JAK2TYK2JAK3HDAC1
SCHEMBL31048891 0.83 JAK1 (0.36) JAK1JAK2TYK2JAK3HDAC1
SCHEMBL31048936 0.83 JAK1 (0.37) JAK1JAK2TYK2JAK3HDAC1

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