SCHEMBL9753432

SCHEMBL9753432

COC(c1ccc2ncc(P(=O)(O)O)n2c1)P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 15/20 0.36
EPHB3 P54753 1/20 0.34
ACP3 P15309 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
SCHEMBL8607440 0.82 CLK1 (0.37) CLK1EPHB3
SCHEMBL8607337 0.77 CLK1 (0.32) CLK1EPHB3
SCHEMBL8609499 0.76 CLK1 (0.36) CLK1EPHB3
SCHEMBL8608539 0.76 EIF2AK4 (0.31) CLK1
SCHEMBL9753836 0.72 CLK1 (0.36) CLK1EPHB3
SCHEMBL9753541 0.72
SCHEMBL8607423 0.72 PPARA (0.40) CLK1EPHB3
SCHEMBL9753593 0.71 ACP3 (0.30) ACP3
SCHEMBL8607390 0.69 CLK1 (0.37) CLK1EPHB3
SCHEMBL8606360 0.69 KDM4E (0.49) CLK1EPHB3

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
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP 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