SCHEMBL7287713

SCHEMBL7287713

O=c1ccc(-c2cccc(-n3ccnc3)c2)n[nH]1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 6/20 0.71
▸ PDE3A Q14432 6/20 0.71
▸ IDO1 P14902 1/20 0.51
▸ PDE2A O00408 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ GRM2 Q14416 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ BCR P11274 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ PRKCA P17252 1/20 0.43
▸ PRKCD Q05655 1/20 0.43

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
SCHEMBL7280366 0.83 PDE3B (1.00) PDE3BPDE3APDE2ACYP1A2CYP3A4
SCHEMBL12596036 0.77 PDE3B (0.64) PDE3BPDE3APDE2ACYP1A2MEN1
SCHEMBL10353459 0.76 CYP1A2 (0.74) PDE3BPDE3ACYP1A2MEN1TSHR
SCHEMBL10650257 0.75 PDE3B (0.62) PDE3BPDE3AIDO1PDE2ACYP1A2
SCHEMBL10553489 0.75 PDE3B (0.69) PDE3BPDE3APDE2ACYP1A2CYP3A4
SCHEMBL12648802 0.74 PDE3B (0.60) PDE3BPDE3APDE2ACYP1A2CYP3A4
SCHEMBL4865755 0.74 MEN1 (0.71) PDE3BPDE3AIDO1MAOAMAOB
SCHEMBL14489499 0.73 IDO1 (0.75) PDE3BPDE3AIDO1CYP3A4MEN1
SCHEMBL15021516 0.72 IDO1 (0.60) PDE3BPDE3AIDO1CYP1A2MAOA
SCHEMBL7298232 0.70 CYP1A2 (0.65) PDE3BPDE3ACYP1A2MEN1TSHR

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-4734415-A CARDIOTONIC, HYPOTENSIVE WARNER-LAMBERT COMPANY (US) 1988-03-29 — — US claimed
EP-0075436-A1 Substituted 4,5-dihydro-6-(substituted)-phenyl-3(2H)-pyridazinones and 6-(substituted)phenyl-3(2H)-pyridazinones WARNER-LAMBERT COMPANY (US) 1983-03-30 — — EP claimed
US-4734415-A CARDIOTONIC, HYPOTENSIVE WARNER-LAMBERT COMPANY (US) 1988-03-29 — — US disclosed
EP-0075436-A1 Substituted 4,5-dihydro-6-(substituted)-phenyl-3(2H)-pyridazinones and 6-(substituted)phenyl-3(2H)-pyridazinones WARNER-LAMBERT COMPANY (US) 1983-03-30 — — EP disclosed
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