SCHEMBL9700092

SCHEMBL9700092

CSc1ccc(-c2nc3n(c2-c2ccncc2)CCCC3)cc1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.56
MAPK13 O15264 9/20 0.49
MAPK12 P53778 9/20 0.49
MAPK11 Q15759 9/20 0.49
MAPK14 Q16539 9/20 0.49
GCGR P47871 4/20 0.49
TGFBR1 P36897 3/20 0.43
CSNK1D P48730 3/20 0.40
CSNK1E P49674 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
LCK P06239 1/20 0.39
RET P07949 1/20 0.39

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
SCHEMBL7352490 0.96 PDE10A (0.60) PDE10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL7377231 0.96 PDE10A (0.60) PDE10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL11473380 0.90 PDE10A (0.51) PDE10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL9524935 0.85 TGFBR1 (0.50) PDE10ATGFBR1SMN1; SMN2KDM4EALOX15
SCHEMBL9700043 0.83 TGFBR1 (0.60) PDE10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL7376921 0.83 PDE10A (0.54) PDE10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL9436323 0.82 TGFBR1 (0.63) PDE10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL9524502 0.81 PDE10A (0.50) PDE10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL7378261 0.81 PDE10A (0.53) PDE10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL9198368 0.81 PDE10A (0.53) PDE10AMAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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