SCHEMBL9204502

SCHEMBL9204502

CC(C)(C)C(=O)c1csc(-c2nc3n(c2-c2ccncc2)CCC3)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
TGFBR1 P36897 4/20 0.38
CSNK1D P48730 3/20 0.37
CSNK1E P49674 3/20 0.37
GABRA1 P14867 3/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
GABRA3 P34903 3/20 0.34
GABRA5 P31644 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRA6 Q16445 1/20 0.34
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 2/20 0.34
TGFBR2 P37173 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 3/20 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
SCHEMBL9198377 0.88 PDE10A (0.45) PDE10ATGFBR1CSNK1DCSNK1EGABRA1
SCHEMBL9698891 0.83 POLB (0.44) PDE10ATGFBR1CSNK1DKDM4ENPC1
SCHEMBL7377439 0.80 PDE10A (0.42) PDE10ATGFBR1CSNK1DCSNK1EGABRA1
SCHEMBL7352500 0.80 PDE10A (0.51) PDE10ATGFBR1GABRA1GABRG2GABRB3
SCHEMBL9698911 0.78 PDE10A (0.41) PDE10ATGFBR1CSNK1DCSNK1EGABRA1
SCHEMBL7376928 0.77 PDE10A (0.46) PDE10ATGFBR1CSNK1DCSNK1EGABRA1
SCHEMBL7378903 0.77 PDE10A (0.41) PDE10ATGFBR1CSNK1DCSNK1EGABRA1
SCHEMBL9700106 0.77 PDE10A (0.47) PDE10ATGFBR1CSNK1DCSNK1EGABRA1
SCHEMBL9700058 0.76 TGFBR1 (0.42) PDE10ATGFBR1CSNK1DCSNK1EKDM4E
SCHEMBL9198832 0.75 PDE10A (0.42) PDE10ATGFBR1KDM4ENPC1RAB9A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0306300-B1 Pyrrolo(1,2-a)imidazole and imidazo(1,2-a)pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORP (US) 1995-05-03 EP claimed
US-5002941-A Antiarthritic agents, arachidonic acid metabolism SMITHKLINE BEECHAM CORPORATION (US) 1991-03-26 US claimed
WO-1990003789-A1 PYRROLO[1,2-a]IMIDAZOLE AND IMIDAZO[1,2-a]PYRIDINE DERIVATIVES AND THEIR USE AS 5-LYPOXYGENASE PATHWAY INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1990-04-19 WO claimed
EP-0364204-A1 Pyrrolo[1,2-a]imidazole and imidazo[1,2-a]pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1990-04-18 EP claimed
EP-0306300-A2 Pyrrolo(1,2-a)imidazole and imidazo(1,2-a)pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1989-03-08 EP claimed
EP-0306300-B1 Pyrrolo(1,2-a)imidazole and imidazo(1,2-a)pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORP (US) 1995-05-03 EP disclosed
US-5145858-A Antiinflammatory SMITHKLINE BEECHAM CORP. (US) 1992-09-08 US disclosed
WO-1990003789-A1 PYRROLO[1,2-a]IMIDAZOLE AND IMIDAZO[1,2-a]PYRIDINE DERIVATIVES AND THEIR USE AS 5-LYPOXYGENASE PATHWAY INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1990-04-19 WO disclosed
EP-0364204-A1 Pyrrolo[1,2-a]imidazole and imidazo[1,2-a]pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1990-04-18 EP disclosed
EP-0306300-A2 Pyrrolo(1,2-a)imidazole and imidazo(1,2-a)pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1989-03-08 EP disclosed