SCHEMBL7016903

SCHEMBL7016903

COc1ccc(CNc2nc(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc3sc4c(c23)CCCC4)cc1Cl.COc1ccc(CNc2nc(CN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)nc3sc4c(c23)CCCC4)cc1Cl.COc1ccc(CNc2nc(CNCC(O)CO)nc3sc4c(c23)CCCC4)cc1Cl.COc1ccc(CNc2nc(CNCc3ccc4c(c3)OCO4)nc3sc4c(c23)CCCC4)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 4/20 0.37
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
LMNA P02545 6/20 0.36
POLB P06746 3/20 0.36
PKM P14618 1/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL5404997 0.84 LMNA (0.48) HTTNPSR1SMN1; SMN2HPGDMAPT
SCHEMBL5402226 0.82 SMN1; SMN2 (0.54) HTTNPSR1SMN1; SMN2HPGDMAPT
SCHEMBL5413005 0.78 MAPT (0.51) HTTNPSR1SMN1; SMN2HPGDMAPT
SCHEMBL5409577 0.78 MAPT (0.44) HTTNPSR1SMN1; SMN2HPGDMAPT
SCHEMBL5413011 0.76 ALDH1A1 (0.46) HTTNPSR1SMN1; SMN2MAPTTP53
SCHEMBL5408518 0.75 GPR55 (0.48) HTTNPSR1SMN1; SMN2MAPTTP53
SCHEMBL5407863 0.75 F10 (0.44) HSD17B10ALDH1A1KDM4ELMNAKMT2A
SCHEMBL5415620 0.74 LMNA (0.49) HTTNPSR1SMN1; SMN2HPGDMAPT
SCHEMBL7019440 0.73 HSD17B10 (0.47) HTTSMN1; SMN2MAPTHSD17B10ALDH1A1
SCHEMBL5419673 0.72 ALDH1A1 (0.49) HTTNPSR1SMN1; SMN2MAPTHSD17B10

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
EP-1294729-A1 2-AMINOALKYL-THIENO[2,3-D]PYRIMIDINES MERCK PATENT GmbH (DE) 2003-03-26 EP disclosed
WO-2002000664-A1 2-AMINOALKYL-THIENO[2,3-D]PYRIMIDINES MERCK PATENT GMBH (DE) 2002-01-03 WO disclosed