SCHEMBL4463028

SCHEMBL4463028

O=C(O)c1ncn(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 12/20 0.55
▸ KCNK9 Q9NPC2 12/20 0.55
▸ KDM4E B2RXH2 4/20 0.54
▸ GAA P10253 1/20 0.53
▸ SLC2A1 P11166 1/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ GABRA1 P14867 1/20 0.51
▸ GABRA5 P31644 1/20 0.51
▸ GABRB2 P47870 1/20 0.51

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
SCHEMBL1430931 0.91 KDM4E (0.53) KCNK3KCNK9KDM4EGAASLC2A1
SCHEMBL1429107 0.88 KDM4E (0.51) KCNK3KCNK9KDM4EGAASLC2A1
SCHEMBL1430702 0.88 KDM4E (0.56) KCNK3KCNK9KDM4EGAASLC2A1
SCHEMBL1430567 0.88 KCNK3 (0.54) KCNK3KCNK9KDM4ENPC1POLB
SCHEMBL8208 0.78 KDM4E (0.64) KCNK3KCNK9KDM4EGAASLC2A1
SCHEMBL4312635 0.77 KDM4E (0.54) KCNK3KCNK9KDM4EGAASLC2A1
SCHEMBL2179329 0.76 CYP1A2 (0.52) GAASLC2A1GABRB2
SCHEMBL1430574 0.76 KDM4E (0.61) KCNK3KCNK9KDM4EGAASLC2A1
SCHEMBL1430050 0.76 KDM4E (0.61) KCNK3KCNK9KDM4EGAASLC2A1
SCHEMBL1432493 0.76 SLC2A1 (0.49) KDM4ESLC2A1HTTGABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009143156-A2 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SEPRACOR INC. (US) 2009-11-26 — — WO disclosed
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