SCHEMBL7374657

SCHEMBL7374657

Cc1cc(-c2c(-c3ccc(CS)cc3)nc3n2CCC3)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.47
TGFBR1 P36897 5/20 0.42
ATM Q13315 1/20 0.40
TGFBR2 P37173 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK14 Q16539 2/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
CSNK1D P48730 3/20 0.35
CSNK1E P49674 3/20 0.35
WNT3A P56704 1/20 0.34
GRM2 Q14416 2/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
PSEN1 P49768 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
SCHEMBL13430532 0.85 TGFBR1 (0.58) PDE10ATGFBR1ATMTGFBR2MAPK14
SCHEMBL9524502 0.83 PDE10A (0.50) PDE10ATGFBR1ATMTGFBR2NPC1
SCHEMBL27309763 0.83 ATM (0.61) PDE10ATGFBR1ATMTGFBR2NPC1
SCHEMBL27310627 0.81 PDE10A (0.46) PDE10ATGFBR1ATMTGFBR2NPC1
SCHEMBL9524516 0.77 PDE10A (0.41) PDE10ATGFBR1ATMTGFBR2NPC1
SCHEMBL9196852 0.71 ATM (0.67) PDE10ATGFBR1ATMTGFBR2NPC1
SCHEMBL9199906 0.70 PDE10A (0.57) PDE10ATGFBR1ATMTGFBR2NPC1
SCHEMBL9701112 0.69 PDE10A (0.57) PDE10ATGFBR1ATMTGFBR2NPC1
SCHEMBL11482604 0.69 MAPT (0.59) PDE10ATGFBR1ATMTGFBR2NPC1
SCHEMBL17767553 0.68 TGFBR1 (0.59) PDE10ATGFBR1TGFBR2MAPK14MAPK13

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-1990015534-A1 MONOKINE ACTIVITY INTERFERENCE SMITHKLINE BEECHAM CORPORATION (US) 1990-12-27 WO disclosed
EP-0403251-A2 Monokine activity interference SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP disclosed