SCHEMBL28024737

SCHEMBL28024737

O=c1cc[nH]c(N2CCOCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.51
APAF1 O14727 1/20 0.47
CDC25B P30305 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
PIK3CA P42336 3/20 0.47
PIK3CB P42338 2/20 0.47
GAA P10253 1/20 0.44
HSD17B10 Q99714 4/20 0.43
TSHR P16473 2/20 0.43
JAK3 P52333 1/20 0.41
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PIK3CD O00329 1/20 0.41
ELANE P08246 1/20 0.41
PIK3R1 P27986 1/20 0.41
ALDH3A1 P30838 1/20 0.40

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
SCHEMBL22150604 0.74 PIK3CA (0.49) PRKDCPIK3CAPIK3CBALDH1A1MEN1
SCHEMBL3833537 0.74 LMNA (0.48) PRKDCAPAF1CDC25BCASP3SENP8
SCHEMBL942469 0.69 PIK3CB (0.51) PRKDCPIK3CAPIK3CBGAAJAK3
SCHEMBL28826859 0.68 PIK3CD (0.53) PRKDCPIK3CAPIK3CBHSD17B10ALDH1A1
SCHEMBL30602734 0.68 APAF1 (0.50) PRKDCAPAF1CDC25BCASP3SENP8
SCHEMBL29778435 0.67 PIK3CD (0.59) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL444108 0.67 GHSR (0.52) PRKDCPIK3CAPIK3CBHSD17B10TSHR
SCHEMBL4032846 0.67 MAPT (0.47) PRKDCAPAF1CDC25BCASP3SENP8
SCHEMBL15987537 0.66 SIGMAR1 (0.56) HSD17B10ALDH1A1MEN1KMT2AMAPT
SCHEMBL19051444 0.65 APAF1 (1.00) PRKDCAPAF1CDC25BCASP3SENP8

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-105143209-A Biaryl amide compounds as kinase inhibitors NOVARTIS AG 2015-12-09 CN disclosed