SCHEMBL14459798

SCHEMBL14459798

CCOC(=O)CC1CCc2c(sc3ncnc(Cl)c23)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.54
MAPT P10636 4/20 0.48
PTGS2 P35354 1/20 0.48
TP53 P04637 1/20 0.46
KDM4E B2RXH2 2/20 0.45
TSHR P16473 2/20 0.45
HTT P42858 1/20 0.45
CSNK2A2 P19784 3/20 0.44
CSNK2B P67870 3/20 0.44
CSNK2A1 P68400 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 2/20 0.42
MKNK1 Q9BUB5 1/20 0.41
ESR2 Q92731 1/20 0.41
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL15112114 0.92 PTGS2 (0.48) LIMK1MAPTPTGS2TP53KDM4E
SCHEMBL5630969 0.85 CSNK2A2 (0.51) LIMK1MAPTTP53KDM4ETSHR
SCHEMBL16751134 0.83 LIMK1 (0.77) LIMK1MAPTPTGS2TP53KDM4E
SCHEMBL15933742 0.83 LIMK1 (0.77) LIMK1MAPTPTGS2TP53KDM4E
SCHEMBL5629554 0.83 LIMK1 (0.77) LIMK1MAPTPTGS2TP53KDM4E
SCHEMBL16384793 0.83 LIMK1 (0.77) LIMK1MAPTPTGS2TP53KDM4E
SCHEMBL10343608 0.82 HTT (0.63) LIMK1MAPTTP53KDM4ETSHR
SCHEMBL19523758 0.82 HTT (0.63) LIMK1MAPTTP53KDM4ETSHR
SCHEMBL12429192 0.80 KDM4E (0.58) LIMK1MAPTPTGS2TP53KDM4E
SCHEMBL15112168 0.80 PTGS2 (0.48) LIMK1MAPTPTGS2TP53KDM4E

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
US-7238701-B2 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2007-07-03 US disclosed
US-7238701-B2 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2007-07-03 US disclosed