SCHEMBL9634591

SCHEMBL9634591

C#CCOc1ccc(-c2nc3cnccc3[nH]2)c(OCC#C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.40
TOP2A P11388 1/20 0.40
PDE5A O76074 6/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
PDE2A O00408 1/20 0.37
MAOB P27338 6/20 0.35
MAOA P21397 5/20 0.35
PARP1 P09874 1/20 0.35
ACHE P22303 1/20 0.34
GCGR P47871 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
GSTP1 P09211 1/20 0.34
CA12 O43570 1/20 0.33

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
SCHEMBL9635731 0.95 TOP1 (0.37) TOP1TOP2APDE5APDE3BPDE3A
SCHEMBL9634126 0.95 TOP1 (0.37) TOP1TOP2APDE5APDE3BPDE3A
SCHEMBL9634582 0.94 PDE5A (0.40) TOP1TOP2APDE5APDE3BPDE3A
SCHEMBL9634624 0.94 CBFB (0.41) TOP1TOP2APDE5APDE3BPDE3A
SCHEMBL9634736 0.92 PDE2A (0.47) TOP1TOP2APDE5APDE3BPDE3A
SCHEMBL9634540 0.92 PDE5A (0.47) TOP1TOP2APDE5APDE3BPDE3A
SCHEMBL9634114 0.92 PDE5A (0.41) TOP1TOP2APDE5APDE3BPDE3A
SCHEMBL9636307 0.92 PDE5A (0.39) TOP1TOP2APDE5APDE3BPDE3A
SCHEMBL9634601 0.91 TOP1 (0.36) TOP1TOP2APDE5APDE3BPDE3A
SCHEMBL9636158 0.91 PDE5A (0.34) TOP1TOP2APDE5APDE3BPDE3A

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-5104881-A 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-04-14 US disclosed
US-4616090-A 2-arylimidazopyridines intermediates MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-07 US disclosed
EP-0072926-B1 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GmbH (DE) 1986-09-24 EP disclosed
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP disclosed