SCHEMBL9698919

SCHEMBL9698919

CCCC[Sn](CCCC)(CCCC)c1c(-c2ccc(F)cc2)nc2n1CCC2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.44
TGFBR2 P37173 2/20 0.40
ATM Q13315 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CSNK1D P48730 2/20 0.34
CSNK1E P49674 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL10379982 0.87 PDE10A (0.41) TGFBR1ATMNPC1RAB9ASMN1; SMN2
SCHEMBL9197916 0.86 ATM (0.58) TGFBR1ATMNPC1RAB9ASMN1; SMN2
SCHEMBL9436258 0.72 TGFBR1 (0.69) TGFBR1TGFBR2ATMNPC1RAB9A
SCHEMBL990288 0.71 SMN1; SMN2 (0.66) TGFBR1TGFBR2ATMNPC1RAB9A
SCHEMBL16739869 0.70 MEN1 (0.36) LMNA
SCHEMBL9839144 0.68 SIGMAR1 (0.37) RAB9A
SCHEMBL25269983 0.68 GAA (0.48) ATMCSNK1DLMNA
SCHEMBL7248094 0.68 MAPK14 (0.54) CSNK1D
SCHEMBL15823964 0.67 SMN1; SMN2 (0.60) TGFBR1TGFBR2ATMNPC1RAB9A
SCHEMBL7343693 0.67 TGFBR1 (0.65) TGFBR1TGFBR2SMN1; SMN2CSNK1DCSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145858-A Antiinflammatory SMITHKLINE BEECHAM CORP. (US) 1992-09-08 US disclosed
US-5002941-A Antiarthritic agents, arachidonic acid metabolism SMITHKLINE BEECHAM CORPORATION (US) 1991-03-26 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