SCHEMBL5317673

SCHEMBL5317673

CCOc1ccc(OCC)c(Nc2cncc3sccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 4/20 0.41
MAPT P10636 2/20 0.40
EPHX1 P07099 1/20 0.39
CHEK1 O14757 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5332098 0.81 MEN1 (0.49) TSHRMAPK1TP53MAPTALDH1A1
SCHEMBL5334384 0.79 MAPT (0.42) TSHRHPGDSMN1; SMN2MAPK1TP53
SCHEMBL5337352 0.76 GAA (0.43) TSHRHPGDMAPK1TP53MAPT
SCHEMBL5339343 0.74 ICAM1 (0.42) HPGDSMN1; SMN2TP53MAPTALDH1A1
SCHEMBL5333560 0.74 MEN1 (0.55) HPGDSMN1; SMN2MAPK1MAPTALDH1A1
SCHEMBL5330795 0.73 IRAK4 (0.47) TSHRHPGDMAPK1TP53MAPT
SCHEMBL5311203 0.70 EGFR (0.45) TSHRHPGDSMN1; SMN2MAPK1TP53
SCHEMBL5331010 0.70 CSNK2A1 (0.51) HPGDSMN1; SMN2MAPK1MAPTALDH1A1
SCHEMBL11523980 0.70 EPHX1 (0.54) TSHRHPGDSMN1; SMN2MAPK1EPHX1
SCHEMBL20278484 0.70 ICAM1 (0.45) HPGDMAPTALDH1A1HTTLMNA

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
WO-2007056215-A9 N-ARYL-THIENOPYRIMIDIN-4-AMINES AND THE USE THEREOF CYTOVIA INC (US) 2007-09-13 WO disclosed
WO-2007056215-A2 N-ARYL-THIENOPYRIMIDIN-4-AMINES AND THE USE THEREOF CYTOVIA, INC. (US) 2007-05-18 WO disclosed