SCHEMBL28058221

SCHEMBL28058221

C1=C(c2cncnc2)CCOC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.46
KCNH2 Q12809 1/20 0.46
PIK3CA P42336 8/20 0.40
PIK3CD O00329 7/20 0.40
PIK3CB P42338 7/20 0.40
PIK3CG P48736 6/20 0.40
CYP11B2 P19099 1/20 0.40
DYRK1A Q13627 1/20 0.40
ABL1 P00519 1/20 0.38
PIK3R1 P27986 4/20 0.35
MTOR P42345 2/20 0.33
MAPK14 Q16539 2/20 0.33
SERPINA2 P20848 1/20 0.33
PRKDC P78527 1/20 0.33
ATR Q13535 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
HTR1D P28221 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CDC7 O00311 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL30635450 0.79 ATM (0.33) BACE1KCNH2
SCHEMBL2712585 0.77 CYP11B2 (0.46) BACE1KCNH2PIK3CAPIK3CDPIK3CB
SCHEMBL17686085 0.77 PIK3CA (0.47) BACE1KCNH2PIK3CAPIK3CDPIK3CB
SCHEMBL29066296 0.77 DYRK1A (0.39) BACE1KCNH2PIK3CAPIK3CDPIK3CB
SCHEMBL26560458 0.76 HTR1D (0.43) BACE1KCNH2PIK3CAPIK3CDPIK3CB
SCHEMBL19209936 0.73 DHFR (0.42) BACE1KCNH2PIK3CAPIK3CDPIK3CB
SCHEMBL18857842 0.72 MAPK14 (0.47) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL31704858 0.72 CYP11B2 (0.51) PIK3CAPIK3CDPIK3CBPIK3CGCYP11B2
SCHEMBL31706135 0.72 CYP11B2 (0.51) PIK3CAPIK3CDPIK3CBPIK3CGCYP11B2
SCHEMBL2457641 0.72 PIK3CA (0.41) BACE1KCNH2PIK3CAPIK3CDPIK3CB

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-104395297-B Sulfonamide derivatives and pharmaceutical use thereof AJINOMOTO CO.,INC. (JP) 2016-05-04 CN disclosed