SCHEMBL31489598

SCHEMBL31489598

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc2cc(-c3cc(C#N)cc(Cl)n3)ccn2n1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.32
PDK1 Q15118 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
GPR119 Q8TDV5 2/20 0.31
FNTA P49354 2/20 0.31
FNTB P49356 2/20 0.31
ABCB1 P08183 4/20 0.30
AAK1 Q2M2I8 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
SCHEMBL31489548 0.84 TDP2 (0.35) HSP90AA1HSP90AB1
SCHEMBL31489340 0.83 CYP11B2 (0.34) HSP90AA1HSP90AB1AAK1
SCHEMBL31489228 0.81 TDP2 (0.32) HSP90AA1HSP90AB1GPR119AAK1
SCHEMBL31489812 0.78 TDP2 (0.34) AAK1
SCHEMBL31489435 0.77 PIK3CG (0.33) GPR119AAK1
SCHEMBL31489552 0.76 TDP2 (0.34)
SCHEMBL20472681 0.74 JMJD6 (0.41)
SCHEMBL25439804 0.74 TSHR (0.38)
SCHEMBL31489293 0.74 TDP2 (0.33)
SCHEMBL31489473 0.74 TDP2 (0.32)

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-2025072395-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-03 WO disclosed