SCHEMBL7438685

SCHEMBL7438685

O=C1CCC(c2cnccc2-n2ccnc2)=NN1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 15/20 0.60
▸ PDE3A Q14432 14/20 0.60
▸ PDE4A P27815 2/20 0.60
▸ PDE4B Q07343 2/20 0.60
▸ PDE4C Q08493 2/20 0.60
▸ PDE4D Q08499 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ KCNH2 Q12809 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CRBN Q96SW2 3/20 0.39
▸ TBXAS1 P24557 1/20 0.39
▸ PDE2A O00408 1/20 0.37

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
SCHEMBL7395148 0.76 PDE3A (0.63) PDE3BPDE3APDE4APDE4BPDE4C
Imazodan SCHEMBL148436 0.75 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
Imazodan SCHEMBL124243 0.74 PDE3B (0.97) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10468427 0.73 PDE3B (0.69) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10648314 0.72 PDE3B (0.60) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7278112 0.71 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10381776 0.71 PDE3B (0.61) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7436364 0.70 EGLN2 (0.35) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11228219 0.69 KCNH2 (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10648101 0.68 PDE3B (0.62) PDE3BPDE3APDE4APDE4BPDE4C

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
EP-0243483-A4 PYRIDYL-PYRIDAZONE AND PYRIDYL-PYRAZOLINONE CARDIOTONICS — 1990-10-10 — — EP claimed
EP-0243483-A1 PYRIDYL-PYRIDAZONE AND PYRIDYL-PYRAZOLINONE CARDIOTONICS RORER INTERNATIONAL (OVERSEAS) INC. (a Delaware corporation) (US) 1987-11-04 — — EP claimed
WO-1987002587-A1 PYRIDYL-PYRIDAZONE AND PYRIDYL-PYRAZOLINONE CARDIOTONICS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1987-05-07 — — WO claimed
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