SCHEMBL7377237

SCHEMBL7377237

Cc1csc(-c2c(-c3ccncc3)nc3n2CCC3)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.51
ATM Q13315 1/20 0.41
GABRA1 P14867 3/20 0.39
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA3 P34903 3/20 0.39
GABRA5 P31644 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRA4 P48169 1/20 0.39
GABRA6 Q16445 1/20 0.39
TGFBR1 P36897 4/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 0.38
MAPK14 Q16539 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37

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
SCHEMBL7352500 0.90 PDE10A (0.51) PDE10AATMGABRA1GABRG2GABRB3
SCHEMBL11473387 0.87 SMN1; SMN2 (0.39) PDE10AATMTGFBR1SMN1; SMN2NPC1
SCHEMBL9700106 0.86 PDE10A (0.47) PDE10AATMGABRA1GABRG2GABRB3
SCHEMBL7369798 0.80 MAPK14 (0.60) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL9524943 0.80 TGFBR1 (0.46) PDE10AATMGABRA1GABRG2GABRB3
SCHEMBL9524516 0.80 PDE10A (0.41) PDE10AATMGABRA1GABRG2GABRB3
SCHEMBL9752587 0.76 PDE10A (0.60) PDE10ATGFBR1SMN1; SMN2NPC1RAB9A
SCHEMBL7376928 0.75 PDE10A (0.46) PDE10AATMGABRA1GABRG2GABRB3
SCHEMBL9199906 0.74 PDE10A (0.57) PDE10AATMTGFBR1SMN1; SMN2NPC1
SCHEMBL7343693 0.74 TGFBR1 (0.65) PDE10ATGFBR1SMN1; SMN2MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411754-A2 Medicament for the inhibition of interleukin-1 or tumor necrosis factor production by monocytes and/or macrophages SMITHKLINE BEECHAM CORPORATION (US) 1991-02-06 EP claimed
WO-1990015534-A1 MONOKINE ACTIVITY INTERFERENCE SMITHKLINE BEECHAM CORPORATION (US) 1990-12-27 WO claimed
EP-0403251-A2 Monokine activity interference SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP claimed
US-5317019-A Antiinflammatory agents SMITHKLINE BEECHAM CORP. (US) 1994-05-31 US disclosed
US-5145858-A Antiinflammatory SMITHKLINE BEECHAM CORP. (US) 1992-09-08 US disclosed
EP-0411754-A2 Medicament for the inhibition of interleukin-1 or tumor necrosis factor production by monocytes and/or macrophages SMITHKLINE BEECHAM CORPORATION (US) 1991-02-06 EP disclosed
WO-1991000092-A1 INHIBITION OF INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR PRODUCTION BY MONOCYTES AND/OR MACROPHAGES SMITHKLINE BEECHAM CORPORATION (US) 1991-01-10 WO disclosed
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
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