SCHEMBL31489228

SCHEMBL31489228

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc2cc(-c3ccc(Cl)c(Cl)n3)ccn2n1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.32
AAK1 Q2M2I8 1/20 0.31
SUV39H2 Q9H5I1 2/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
GPR119 Q8TDV5 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
SCHEMBL31489812 0.91 TDP2 (0.34) TDP2AAK1
SCHEMBL31489548 0.87 TDP2 (0.35) TDP2SUV39H2HSP90AA1HSP90AB1
SCHEMBL31489340 0.84 CYP11B2 (0.34) TDP2AAK1SUV39H2HSP90AA1HSP90AB1
SCHEMBL25439804 0.82 TSHR (0.38) TDP2SUV39H2
SCHEMBL31507885 0.81 TDP2 (0.31) TDP2
SCHEMBL31489598 0.81 EGLN2 (0.32) AAK1HSP90AA1HSP90AB1GPR119
SCHEMBL31489435 0.80 PIK3CG (0.33) TDP2AAK1SUV39H2GPR119
SCHEMBL20472618 0.79 CSNK2A2 (0.33) TDP2AAK1
SCHEMBL31489466 0.79 AAK1 (0.36) TDP2AAK1
SCHEMBL31489552 0.79 TDP2 (0.34) TDP2

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