SCHEMBL28310074

SCHEMBL28310074

CN1c2ccccc2N=CC1Br

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 3/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
GPR3 P46089 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
PDGFRB P09619 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 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
SCHEMBL28324513 0.78 NSD2 (0.33) NSD2PTPN2PTPN1GPR3MEN1
SCHEMBL28253519 0.78 NSD2 (0.33) NSD2PTPN2PTPN1GPR3MEN1
SCHEMBL21400041 0.72 LMNA (0.33) GPR3MEN1KMT2A
SCHEMBL12324811 0.67 NSD2 (0.30) NSD2PTPN2PTPN1
SCHEMBL17223955 0.64 NSD2 (0.33) NSD2HPGD
SCHEMBL28325602 0.63 KDM4E (0.37) NSD2PTPN2PTPN1GPR3MEN1
SCHEMBL27678807 0.63 PTPN2 (0.44) NSD2PTPN2PTPN1GPR3MEN1
SCHEMBL28525064 0.62 NOTUM (0.30)
SCHEMBL21250753 0.62 PDGFRB (0.46) PTPN2PTPN1GPR3KDM4EPDGFRB
SCHEMBL28015523 0.61 MEN1 (0.40) PTPN2PTPN1GPR3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483492-A Dipeptidyl peptidase i inhibitors ASTRAZENECA AB 2019-11-22 CN disclosed
CN-105980367-B (2S) -N- [ (1S) -1-cyano-2-phenylethyl ] -1, 4-oxazepane-2-carboxamides as dipeptidyl peptidase I inhibitors 阿斯利康(瑞典)有限公司 2019-08-23 CN disclosed