SCHEMBL7435139

SCHEMBL7435139

C1=CNC(c2nc(NCc3ccccc3)c3ccccc3n2)=CC=N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.57
MEN1 O00255 9/20 0.57
PDE5A O76074 8/20 0.57
GBA1 P04062 3/20 0.57
ATM Q13315 1/20 0.57
PTGS1 P23219 2/20 0.53
TBXAS1 P24557 2/20 0.53
PTGS2 P35354 2/20 0.53
MAPT P10636 4/20 0.52
MAPK1 P28482 3/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
RAD52 P43351 1/20 0.51
LMNA P02545 7/20 0.51
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 2/20 0.51
HTT P42858 1/20 0.51
CYP1A2 P05177 4/20 0.50
CYP3A4 P08684 4/20 0.50

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
SCHEMBL7431460 0.84 KMT2A (0.61) KMT2AMEN1PDE5AGBA1ATM
SCHEMBL7610307 0.80 LATS1 (0.46) KMT2AMEN1PDE5AGBA1MAPT
SCHEMBL7608491 0.78 MAPK1 (0.44) KMT2AMEN1PDE5AGBA1MAPK1
SCHEMBL7608895 0.78 MAPK1 (0.44) KMT2AMEN1PDE5AGBA1MAPK1
SCHEMBL1083763 0.74 PDE5A (1.00) KMT2AMEN1PDE5AGBA1ATM
SCHEMBL7431532 0.72 KMT2A (0.77) KMT2AMEN1PDE5AGBA1ATM
SCHEMBL7431547 0.70 PDE5A (0.66) KMT2AMEN1PDE5AGBA1ATM
SCHEMBL7432870 0.70 PDE5A (0.69) KMT2AMEN1PDE5AGBA1ATM
SCHEMBL7277479 0.70 PDE5A (1.00) KMT2AMEN1PDE5AGBA1ATM
SCHEMBL1084183 0.70 MEN1 (0.89) KMT2AMEN1PDE5AGBA1ATM

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 2 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
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP disclosed