SCHEMBL31489765

SCHEMBL31489765

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc2cc(-c3cccc(-c4cnn(Cc5ccccc5)c4)c3)ccn2n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
COMT P21964 1/20 0.39
SCD O00767 2/20 0.39
CREBBP Q92793 4/20 0.38
DHODH Q02127 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
PIK3CD O00329 2/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
BRD4 O60885 1/20 0.36
SCD5 Q86SK9 1/20 0.36
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL31489250 0.79 PDK2 (0.35)
SCHEMBL31489502 0.77 JAK2 (0.34)
SCHEMBL31489799 0.76 L3MBTL1 (0.54) L3MBTL1COMTCREBBPADORA2AADORA1
SCHEMBL31489548 0.74 TDP2 (0.35) PIK3CAPIK3CG
SCHEMBL31489394 0.74 PDK2 (0.33) BRD4
SCHEMBL31489435 0.74 PIK3CG (0.33) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20472618 0.73 CSNK2A2 (0.33) L3MBTL1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL31489559 0.72 SSTR4 (0.34) BRD4
SCHEMBL31489340 0.72 CYP11B2 (0.34) L3MBTL1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL31489228 0.71 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