SCHEMBL9634875

SCHEMBL9634875

C#CCOc1cccc(OC)c1-c1nc2ncccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 15/20 0.57
AURKA O14965 3/20 0.57
PDE2A O00408 1/20 0.50
PDE4A P27815 8/20 0.47
PDE4B Q07343 8/20 0.47
PDE4C Q08493 8/20 0.47
PDE4D Q08499 8/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL10908413 0.91 PDE5A (0.61) PDE5AAURKAPDE2APDE4APDE4B
SCHEMBL11768369 0.88 PDE5A (0.72) PDE5AAURKAPDE2APDE4APDE4B
SCHEMBL10741211 0.85 METAP2 (0.40) PDE5AAURKAPDE2AALDH1A1HPGD
SCHEMBL9635687 0.84 PDE5A (0.61) PDE5AAURKAPDE2APDE4APDE4B
SCHEMBL9634337 0.84 PDE5A (0.65) PDE5AAURKAPDE2APDE4APDE4B
SCHEMBL9635680 0.82 AURKA (0.56) PDE5AAURKAPDE2AALDH1A1HPGD
SCHEMBL9635658 0.82 AURKA (0.56) PDE5AAURKAPDE2AALDH1A1HPGD
SCHEMBL9635759 0.81 PDE5A (0.70) PDE5AAURKAPDE2APDE4APDE4B
SCHEMBL9636135 0.81 AURKA (0.54) PDE5AAURKAPDE2APDE4APDE4B
SCHEMBL9635975 0.80 PDE5A (0.46) PDE5AAURKAALDH1A1HPGDHSD17B10

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