SCHEMBL7015342

SCHEMBL7015342

Cc1nc2n(Cc3cccc(C(=O)c4ccc(Cl)cc4)c3)ccn2c(=O)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
TP53 P04637 3/20 0.46
POLB P06746 2/20 0.46
PIK3CD O00329 3/20 0.41
PIK3CB P42338 3/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP19A1 P11511 5/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
ADRA1D P25100 1/20 0.37
MEN1 O00255 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
SCHEMBL7015959 0.90 TP53 (0.44) MAPTTP53POLBPIK3CDPIK3CB
SCHEMBL7015451 0.83 SRD5A2 (0.44) MAPTTP53POLBPIK3CDPIK3CB
SCHEMBL7015350 0.79 TP53 (0.44) MAPTTP53POLBPIK3CDPIK3CB
Hydrochloric Acid SCHEMBL7013530 0.78 L3MBTL1 (0.39) MAPTTP53PIK3CDPIK3CBHDAC3
SCHEMBL7014282 0.78 TP53 (0.41) MAPTTP53POLBPIK3CDPIK3CB
SCHEMBL7016868 0.77 ENPP2 (0.42) MAPTTP53POLBPIK3CDPIK3CB
SCHEMBL8642392 0.77 MAPT (0.39) MAPTTP53POLBCYP19A1TDP1
SCHEMBL7016044 0.75 PIK3CD (0.55) MAPTTP53POLBPIK3CDPIK3CB
SCHEMBL7016621 0.72 TP53 (0.42) MAPTTP53POLBPIK3CDPIK3CB
SCHEMBL7016280 0.71 PIK3CD (0.43) MAPTTP53POLBPIK3CDPIK3CB

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-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed