SCHEMBL7279992

SCHEMBL7279992

Cc1cccc(CNc2nc(-c3cccnc3)nc3ccccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 1.00
CYP3A4 P08684 8/20 1.00
MEN1 O00255 8/20 1.00
KMT2A Q03164 8/20 1.00
CYP2D6 P10635 7/20 1.00
CYP2C19 P33261 7/20 1.00
MAPT P10636 7/20 1.00
ALDH1A1 P00352 6/20 1.00
TSHR P16473 6/20 1.00
MAPK1 P28482 6/20 1.00
LMNA P02545 5/20 1.00
HSD17B10 Q99714 4/20 1.00
USP2 O75604 4/20 1.00
HIF1A Q16665 2/20 1.00
TDP1 Q9NUW8 2/20 1.00
KDM4E B2RXH2 2/20 1.00
PDE5A O76074 7/20 0.79
CLK4 Q9HAZ1 3/20 0.79
GBA1 P04062 3/20 0.79
TP53 P04637 2/20 0.79

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
SCHEMBL7286130 0.89 PDE5A (1.00) CYP1A2CYP3A4MEN1KMT2ACYP2D6
SCHEMBL7277274 0.87 CYP1A2 (1.00) CYP1A2CYP3A4MEN1KMT2ACYP2D6
SCHEMBL7279378 0.87 MEN1 (0.84) CYP1A2CYP3A4MEN1KMT2ACYP2D6
SCHEMBL7281010 0.87 PDE5A (1.00) CYP1A2CYP3A4MEN1KMT2ACYP2D6
SCHEMBL12176116 0.85 KMT2A (0.75) CYP1A2CYP3A4MEN1KMT2ACYP2D6
SCHEMBL7287929 0.84 PDE5A (0.74) CYP1A2CYP3A4MEN1KMT2ACYP2D6
SCHEMBL7432190 0.84 MAPT (0.74) CYP1A2CYP3A4MEN1KMT2ACYP2D6
SCHEMBL1064854 0.84 CYP1A2 (1.00) CYP1A2CYP3A4MEN1KMT2ACYP2D6
SCHEMBL14475051 0.83 MAPT (0.73) CYP1A2CYP3A4MEN1KMT2ACYP2D6
Hydrochloric Acid SCHEMBL7289885 0.83 PDE5A (0.73) CYP1A2CYP3A4MEN1KMT2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579496-B1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO (JP) 2001-11-14 EP claimed
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP claimed
EP-0579496-B1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO (JP) 2001-11-14 EP disclosed
US-5439895-A Cardiovascular disorders; inhibitor of thromboxane A2 synthetase and cyclic guanosine 3',5'-monophosphate ONO PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
US-5436233-A Nervous system disorders ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-25 US disclosed
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP disclosed