SCHEMBL31489388

SCHEMBL31489388

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc2cc(-c3cncc(Cl)n3)c(F)cn2n1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.32
ACVR1B P36896 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
KAT7 O95251 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
SCHEMBL31489427 0.82 APP (0.32)
SCHEMBL31489814 0.81 PIK3CG (0.38) CYP11B1CYP11B2
SCHEMBL31489340 0.80 CYP11B2 (0.34) AAK1CYP11B1CYP11B2
SCHEMBL31489834 0.79 CSNK2A1 (0.31)
SCHEMBL31489352 0.77
SCHEMBL31489757 0.71 BACE1 (0.41)
SCHEMBL31489812 0.70 TDP2 (0.34) AAK1
SCHEMBL31489552 0.70 TDP2 (0.34)
SCHEMBL31489548 0.69 TDP2 (0.35)
SCHEMBL31489293 0.69 TDP2 (0.33) KAT7

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