SCHEMBL7180282

SCHEMBL7180282

O=c1[nH]cnc2cn(Cc3ccccn3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CREBBP Q92793 1/20 0.39
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL21272824 0.74 ADORA3 (0.51) ADORA3ALDH1A1SMN1; SMN2PDPK1CA12
SCHEMBL19208631 0.71 ADORA3 (0.51) ADORA3ALDH1A1SMN1; SMN2PDPK1CA12
SCHEMBL7468020 0.70 ADORA3 (0.66) ADORA3ALDH1A1SMN1; SMN2PDPK1CA12
SCHEMBL5799684 0.69 ADORA3 (1.00) ADORA3ALDH1A1SMN1; SMN2PDPK1CA12
SCHEMBL364844 0.69 ADORA3 (0.50) ADORA3KDM4EHSD17B10HPGDRAB9A
SCHEMBL28900827 0.67 ALDH1A1 (0.42) ALDH1A1MEN1PKMKMT2ACREBBP
SCHEMBL7422510 0.67 ADORA3 (0.48) ADORA3ALDH1A1SMN1; SMN2PDPK1CA12
SCHEMBL7419559 0.67 ADORA3 (0.48) ADORA3ALDH1A1SMN1; SMN2PDPK1CA12
SCHEMBL30118407 0.66 DDB1 (0.48) ALDH1A1MEN1PKMKMT2ACREBBP
SCHEMBL7062655 0.66 ADORA3 (0.55) ADORA3ALDH1A1SMN1; SMN2PDPK1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296687-A2 TREATMENT OF MALE SEXUAL DYSFUNCTION Pfizer Limited (GB) 2003-04-02 — — EP claimed
WO-2002003995-A2 TREATMENT OF MALE SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 2002-01-17 — — WO claimed
EP-0977756-A1 PYRAZOLOPYRIMIDINONES WHICH INHIBIT TYPE 5 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE (cGMP PDE5) FOR THE TREATMENT OF SEXUAL DYSFUNCTION Pfizer Limited (GB) 2000-02-09 — — EP claimed
WO-1998049166-A1 PYRAZOLOPYRIMIDINONES WHICH INHIBIT TYPE 5 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE (cGMP PDE5) FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 1998-11-05 — — WO claimed
WO-2013067309-A1 METHODS AND COMPOSITIONS FOR ORAL ADMINISTRATION OF MELANOCORTIN RECEPTOR AGONIST COMPOUNDS XION PHARMACEUTICAL CORPORATION (US) 2013-05-10 — — WO disclosed
EP-1140044-A2 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION Novartis AG (CH) 2001-10-10 — — EP disclosed
WO-2000037061-A2 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION NOVARTIS AG (CH) 2000-06-29 — — WO disclosed
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