SCHEMBL7405705

SCHEMBL7405705

Cc1ccc2nc(-c3ccncc3)nc(NCc3ccccc3)c2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 11/20 0.77
PTGS1 P23219 2/20 0.73
TBXAS1 P24557 2/20 0.73
PTGS2 P35354 2/20 0.73
MAPT P10636 4/20 0.61
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
GBA1 P04062 2/20 0.60
ATM Q13315 1/20 0.60
PDE4A P27815 1/20 0.59
PDE4B Q07343 1/20 0.59
PDE4C Q08493 1/20 0.59
PDE4D Q08499 1/20 0.59
MAPK1 P28482 4/20 0.58
ALDH1A1 P00352 4/20 0.58
CYP1A2 P05177 4/20 0.58
CYP3A4 P08684 4/20 0.58
CYP2D6 P10635 4/20 0.58
CYP2C19 P33261 4/20 0.58
LMNA P02545 4/20 0.58

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
SCHEMBL3981851 0.88 PDE5A (0.70) PDE5APTGS1TBXAS1PTGS2MAPT
SCHEMBL7281010 0.87 PDE5A (1.00) PDE5APTGS1TBXAS1PTGS2MAPT
SCHEMBL7437119 0.86 PDE5A (0.74) PDE5APTGS1TBXAS1PTGS2MAPT
SCHEMBL13252155 0.86 PDE5A (0.83) PDE5APTGS1TBXAS1PTGS2MAPT
SCHEMBL7442498 0.85 PDE5A (0.77) PDE5APTGS1TBXAS1PTGS2MAPT
SCHEMBL7433013 0.85 PDE5A (0.73) PDE5APTGS1TBXAS1PTGS2MAPT
SCHEMBL7435476 0.85 PDE5A (0.73) PDE5APTGS1TBXAS1PTGS2MAPT
SCHEMBL7436146 0.85 PDE5A (0.68) PDE5APTGS1TBXAS1PTGS2MAPT
SCHEMBL7411550 0.85 PDE5A (0.68) PDE5APTGS1TBXAS1PTGS2MAPT
SCHEMBL7277479 0.84 PDE5A (1.00) PDE5APTGS1TBXAS1PTGS2MAPT

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-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP claimed
WO-1999059584-A1 COMBINATION OF PHENTOLAMINE AND CYCLIC GMP PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION SCHERING CORPORATION (US) 1999-11-25 WO disclosed
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP disclosed