SCHEMBL28279288

SCHEMBL28279288

NC(=O)c1nc2ccccc2c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K3 P46734 2/20 0.53
LCK P06239 1/20 0.53
MAP2K6 P52564 1/20 0.53
BTK Q06187 1/20 0.53
MAP3K19 Q56UN5 1/20 0.53
NEK10 Q6ZWH5 1/20 0.53
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 1/20 0.52
DYRK1A Q13627 1/20 0.46
GPR3 P46089 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
GRM2 Q14416 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
ELANE P08246 1/20 0.44
HSD17B10 Q99714 3/20 0.43
ADORA3 P0DMS8 2/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL28299251 0.83 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTDYRK1AGPR3
SCHEMBL3067398 0.83 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MAPTDYRK1AGPR3
SCHEMBL1332157 0.81 MAP2K3 (0.50) MAP2K3LCKMAP2K6BTKMAP3K19
SCHEMBL561316 0.81 ADORA3 (0.64) MAP2K3LCKMAP2K6BTKMAP3K19
SCHEMBL8573192 0.80 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2MAPTDYRK1AGPR3
SCHEMBL1840712 0.79 ALDH1A1 (0.49) MAP2K3LCKMAP2K6BTKMAP3K19
SCHEMBL28158782 0.79 LCK (0.49) MAP2K3LCKMAP2K6BTKMAP3K19
SCHEMBL9193444 0.78 MAPT (0.49) MAP2K3LCKMAP2K6BTKMAP3K19
SCHEMBL28296154 0.78 ALDH1A1 (0.79) MAP2K3LCKMAP2K6BTKMAP3K19
SCHEMBL7673424 0.77 LCK (0.46) MAP2K3LCKMAP2K6BTKMAP3K19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109422700-A A kind of synthetic method of N- acetyl group quinoxaline -2- amide and its derivative 浙江工业大学 2019-03-05 CN claimed
CN-109422685-A A kind of synthetic method of N- acetyl group phenanthridines -6- amide and its derivative 浙江工业大学 2019-03-05 CN claimed
CN-109422685-A A kind of synthetic method of N- acetyl group phenanthridines -6- amide and its derivative 浙江工业大学 2019-03-05 CN disclosed
CN-109422685-A A kind of synthetic method of N- acetyl group phenanthridines -6- amide and its derivative 浙江工业大学 2019-03-05 CN disclosed
CN-109422685-A A kind of synthetic method of N- acetyl group phenanthridines -6- amide and its derivative 浙江工业大学 2019-03-05 CN disclosed