SCHEMBL29133293

SCHEMBL29133293

COc1nc(N2CCC(N(C)C)C2)c([N+](=O)[O-])cc1N

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.44
JAK2 O60674 6/20 0.39
JAK1 P23458 2/20 0.39
PLK1 P53350 3/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP4K4 O95819 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ELANE P08246 1/20 0.35
WDR5 P61964 1/20 0.35
INSR P06213 1/20 0.35
AXL P30530 1/20 0.35
KDR P35968 1/20 0.35
CHRM1 P11229 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL27238154 1.00 JAK3 (0.44) JAK3JAK2JAK1PLK1MAPT
SCHEMBL29133287 0.86 JAK3 (0.42) JAK3JAK2JAK1PLK1MAPT
SCHEMBL29133291 0.86 JAK3 (0.40) JAK3JAK2JAK1PLK1MAPT
SCHEMBL4674001 0.84 MAP4K4 (0.41) JAK3JAK2JAK1MAP4K4ELANE
SCHEMBL29133298 0.82 WDR5 (0.43) JAK3JAK2JAK1PLK1MAPT
SCHEMBL27238331 0.82 WDR5 (0.43) JAK3JAK2JAK1PLK1MAPT
SCHEMBL30018543 0.81 PLK1 (0.41) JAK3JAK2JAK1PLK1MAPT
SCHEMBL29757770 0.80 PLK1 (0.40) PLK1MAPTMEN1ALDH1A1KMT2A
SCHEMBL24251657 0.80 ALDH1A1 (0.49) MAPTMEN1ALDH1A1KMT2ATDP1
SCHEMBL25348538 0.78 MAPT (0.50) MAPTMEN1ALDH1A1KMT2A

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
CN-115836064-A Triazine derivative with EGFR (epidermal growth factor receptor) inhibitory activity and preparation method and application thereof 上海和誉生物医药科技有限公司 2023-03-21 CN disclosed