SCHEMBL9634600

SCHEMBL9634600

COc1scc(C)c1-c1nc2cnccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.40
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
AURKA O14965 2/20 0.36
KDR P35968 1/20 0.36
METAP1 P53582 1/20 0.36
PKN1 Q16512 1/20 0.35
PKN2 Q16513 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KIT P10721 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
FGFR1 P11362 3/20 0.34
FLT1 P17948 2/20 0.34
AMY1A P0DUB6 2/20 0.34
LDHA P00338 1/20 0.33
EPHX2 P34913 1/20 0.33
FGFR2 P21802 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
Hydrochloric Acid SCHEMBL9838295 0.99 PDE5A (0.41) PDE5AKDM4EALDH1A1HPGDAURKA
SCHEMBL9635718 0.86 KDM4C (0.38) PDE5AKDM4EALDH1A1HPGDMETAP1
SCHEMBL9634651 0.84 METAP1 (0.39) PDE5AKDM4EALDH1A1HPGDAURKA
SCHEMBL10917045 0.83 AMY1A (0.33) PDE5AKDM4EALDH1A1HPGDMETAP1
SCHEMBL9636130 0.83 METAP1 (0.34) PDE5AKDM4EALDH1A1AURKAKDR
SCHEMBL9634494 0.83 PDE10A (0.35) PDE5AKDM4EALDH1A1METAP1PKN1
SCHEMBL9636107 0.82 PDE5A (0.36) PDE5AKDM4EALDH1A1HPGDAURKA
Hydrochloric Acid SCHEMBL10743666 0.82 AMY1A (0.33) PDE5AKDM4EALDH1A1HPGDMETAP1
SCHEMBL9636047 0.82 FGFR1 (0.40) PDE5AKDM4EALDH1A1HPGDAURKA
Hydrochloric Acid SCHEMBL10847863 0.81 FGFR1 (0.39) PDE5AKDM4EALDH1A1HPGDAURKA

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 8 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 claimed
EP-0072926-B1 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GmbH (DE) 1986-09-24 EP claimed
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
US-4603139-A 2-PHENYL-1H-IMIDAZOL(4,5-C)PYRIDINES, ANTICXOAGULANTS, CARDIOVASCULAR DISORDERS BURROUGHS WELLCOME CO. 1986-07-29 US disclosed
EP-0079083-A1 New imidazo[4,5-c]pyridine derivatives, processes for their preparation and pharmaceutical formulations containing such compounds MERCK PATENT GmbH (DE) 1983-05-18 EP disclosed
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP disclosed