SCHEMBL9753250

SCHEMBL9753250

COC(Cc1ccc2ncc(C(=O)O)n2c1)c1nnn[nH]1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.36
CLK1 P49759 8/20 0.35
EPHB3 P54753 1/20 0.33
TGFBR2 P37173 1/20 0.32
CLK2 P49760 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
MAP3K5 Q99683 1/20 0.31
KIT P10721 1/20 0.30

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
SCHEMBL9753674 0.84 CLK1 (0.32) CLK1
SCHEMBL9753498 0.81
SCHEMBL8607108 0.80 TGFBR1 (0.38) TGFBR1CLK1EPHB3TGFBR2MAP3K5
SCHEMBL9753620 0.78 PTGS1 (0.37)
SCHEMBL8609146 0.78 PPARG (0.43) TGFBR1CLK1EPHB3TGFBR2
SCHEMBL8608654 0.78
SCHEMBL9753606 0.77
SCHEMBL8609450 0.76 HDAC8 (0.32)
SCHEMBL8609853 0.72 CPB2 (0.37)
SCHEMBL9753526 0.71

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
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP claimed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO claimed
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP disclosed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO disclosed