SCHEMBL9636145

SCHEMBL9636145

COc1cc(OCC#N)ccc1-c1nc2cnccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 6/20 0.47
▸ PDE3B Q13370 2/20 0.47
▸ PDE3A Q14432 2/20 0.47
▸ PDE2A O00408 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MELK Q14680 2/20 0.38
▸ AAK1 Q2M2I8 1/20 0.38
▸ CDK4 P11802 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CCND1 P24385 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCND3 P30281 1/20 0.37
▸ AMY1A P0DUB6 4/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL9634527 0.92 PDE5A (0.39) PDE5APDE3BPDE3APDE2AKDM4E
SCHEMBL9636160 0.92 PDE2A (0.47) PDE5APDE3BPDE3APDE2AKDM4E
SCHEMBL9636211 0.91 PDE5A (0.40) PDE5APDE3BPDE3APDE2AKDM4E
SCHEMBL9634540 0.89 PDE5A (0.47) PDE5APDE3BPDE3APDE2AKDM4E
SCHEMBL9636094 0.88 CBFB (0.41) PDE5APDE3BPDE3APDE2AKDM4E
SCHEMBL9634126 0.88 TOP1 (0.37) PDE5APDE3BPDE3APDE2AKDM4E
SCHEMBL9635731 0.88 TOP1 (0.37) PDE5APDE3BPDE3APDE2AKDM4E
SCHEMBL10741456 0.87 PDE2A (0.46) PDE5APDE3BPDE3APDE2AKDM4E
SCHEMBL7281375 0.87 PDE5A (0.51) PDE5APDE3BPDE3APDE2AKDM4E
SCHEMBL9634827 0.87 PDE5A (0.41) PDE5APDE3BPDE3APDE2AKDM4E

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
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
Send feedback