SCHEMBL31489439

SCHEMBL31489439

Cc1cn2nc(N)nc2cc1Br

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PIK3CG P48736 11/20 0.36
PIK3CD O00329 7/20 0.36
PIK3CA P42336 3/20 0.36
PIK3CB P42338 2/20 0.36
PDE10A Q9Y233 1/20 0.33
NUDT1 P36639 2/20 0.33
APP P05067 1/20 0.31
AHR P35869 1/20 0.31

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
SCHEMBL16439310 0.86 PDE10A (0.41) KDM4EALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL30888293 0.81 KDM4E (0.40) KDM4EALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL16439356 0.75 PIK3CG (0.34) PIK3CGPIK3CDPIK3CAPIK3CBNUDT1
SCHEMBL27037698 0.75 PIK3CG (0.40) KDM4EALDH1A1PIK3CGPIK3CDPIK3CA
SCHEMBL25189312 0.75 JAK2 (0.41) KDM4EALDH1A1HPGDPIK3CGPIK3CD
SCHEMBL31489531 0.73 KDM4E (0.39) KDM4EPDE10AAHR
SCHEMBL22568517 0.71 PIK3CG (0.34) PIK3CGPIK3CDPIK3CAPIK3CBAHR
SCHEMBL30888295 0.69 GAA (0.41) KDM4EALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL43051 0.68 AHR (0.58) PIK3CGPIK3CDPIK3CAPIK3CBAPP
SCHEMBL10044580 0.68 PIK3CG (0.44) KDM4EALDH1A1HPGDHSD17B10PIK3CG

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