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SCHEMBL31048992

SCHEMBL31048992

Cc1nc(N2CC3CCC(C2)N3C(=O)OC(C)(C)C)c2cnc(-c3cc(NC(=O)OC(C)(C)C)cc4ccc(F)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c34)c(F)c2c1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 3/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ HDAC1 Q13547 1/20 0.33
▸ KRAS P01116 4/20 0.32
▸ NTRK1 P04629 1/20 0.30
▸ GPR119 Q8TDV5 1/20 0.30
▸ MAPK3 P27361 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL31049079 0.94 JAK1 (0.37) JAK1JAK2TYK2JAK3HDAC1
SCHEMBL31048891 0.94 JAK1 (0.36) JAK1JAK2TYK2JAK3HDAC1
SCHEMBL31049121 0.92 JAK2 (0.31) JAK1JAK2TYK2JAK3
SCHEMBL31049243 0.90 JAK1 (0.36) JAK1JAK2TYK2JAK3HDAC1
SCHEMBL31048929 0.90 JAK1 (0.39) JAK1JAK2TYK2JAK3HDAC1
SCHEMBL31049171 0.90 JAK1 (0.36) JAK1JAK2TYK2JAK3HDAC1
SCHEMBL31048936 0.87 JAK1 (0.37) JAK1JAK2TYK2JAK3HDAC1
SCHEMBL27302288 0.86 KRAS (0.41) KRASMAPK3MAPK1
SCHEMBL30942548 0.86 KRAS (0.41) KRASMAPK3MAPK1
SCHEMBL27302289 0.85 KRAS (0.41) KRASMAPK3MAPK1

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