SCHEMBL5029660

SCHEMBL5029660

CNc1cc(N2CCOCC2)ncn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.58
CYP2C19 P33261 1/20 0.58
NPC1 O15118 6/20 0.56
ALDH1A1 P00352 2/20 0.56
ATM Q13315 1/20 0.56
RAB9A P51151 6/20 0.55
GAA P10253 1/20 0.54
EGFR P00533 2/20 0.53
ERBB3 P21860 2/20 0.53
KMO O15229 1/20 0.53
ABL1 P00519 1/20 0.52
BCR P11274 1/20 0.52
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL16840691 0.84 HRH4 (0.55) PIK3CBNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5144566 0.84 NUDT1 (0.56) PIK3CBNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1597538 0.83 PIK3CB (0.58) PIK3CBCYP2C19NPC1ALDH1A1ATM
SCHEMBL31110333 0.82 CYP2C19 (0.68) PIK3CBCYP2C19NPC1ALDH1A1ATM
SCHEMBL28051953 0.81 NPC1 (0.56) PIK3CBCYP2C19NPC1ALDH1A1ATM
SCHEMBL17623265 0.80 HRH4 (0.63) CYP2C19ALDH1A1AKT1
SCHEMBL19027129 0.80 NPC1 (0.58) PIK3CBCYP2C19NPC1ALDH1A1ATM
SCHEMBL564532 0.78 PIK3CB (0.56) PIK3CBCYP2C19NPC1ALDH1A1ATM
SCHEMBL10272311 0.77 CYP2C19 (0.63) PIK3CBCYP2C19NPC1ALDH1A1ATM
SCHEMBL5031512 0.77 PIK3CB (0.62) PIK3CBCYP2C19NPC1ALDH1A1ATM

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
WO-2015091584-A1 THIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS TYK2 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-06-25 WO disclosed
CN-101438288-A Regulation of phosphoryl transferase activity of glutamine synthetase CSIR CORP (ZA) 2009-05-20 CN disclosed
EP-2008210-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2008-12-31 EP disclosed
WO-2007105023-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2007-09-20 WO disclosed
WO-2007105023-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2007-09-20 WO disclosed