SCHEMBL9753587

SCHEMBL9753587

COC(Cc1cn2cc(C(=O)O)nc2cc1Br)c1nnn[nH]1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL8604762 0.90 RXFP1 (0.32) RXFP1
SCHEMBL9753472 0.85 RXFP1 (0.33) RXFP1PTGS1PTGS2
SCHEMBL9753701 0.83
SCHEMBL9753620 0.81 PTGS1 (0.37) KDM4EPOLBPTGS1PTGS2
SCHEMBL8607312 0.80 RXFP1 (0.32) RXFP1PTGS1PTGS2
SCHEMBL8608923 0.80 RXFP1 (0.39) RXFP1KDM4EPOLBPTGS1PTGS2
SCHEMBL8609715 0.77 PTGS1 (0.36) RXFP1PTGS1PTGS2
SCHEMBL8608439 0.77 PTGS1 (0.34) RXFP1PTGS1PTGS2
SCHEMBL8608010 0.75 RXFP1 (0.33) RXFP1PTGS1PTGS2
SCHEMBL9753658 0.75 PTGS1 (0.36) KDM4EPOLBPTGS1PTGS2

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