SCHEMBL7016044

SCHEMBL7016044

Cc1cc(=O)n2ccn(Cc3ccc(C(=O)c4ccc(Cl)cc4)cc3)c2n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.55
PIK3CB P42338 6/20 0.55
TP53 P04637 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
PIK3CA P42336 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
MAPT P10636 4/20 0.44
POLB P06746 1/20 0.44
PIK3CG P48736 1/20 0.42
FABP6 P51161 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
THRB P10828 1/20 0.39

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 0.81 TP53 (0.44) PIK3CDPIK3CBTP53TDP1PIK3CA
SCHEMBL7015350 0.78 TP53 (0.44) PIK3CDPIK3CBTP53TDP1HDAC3
SCHEMBL7014282 0.77 TP53 (0.41) PIK3CDPIK3CBTP53TDP1PIK3CA
SCHEMBL7016868 0.77 ENPP2 (0.42) PIK3CDPIK3CBTP53TDP1HDAC3
SCHEMBL7016621 0.76 TP53 (0.42) PIK3CDPIK3CBTP53TDP1HDAC3
SCHEMBL7015342 0.75 MAPT (0.46) PIK3CDPIK3CBTP53TDP1PIK3CA
SCHEMBL7016280 0.74 PIK3CD (0.43) PIK3CDPIK3CBTP53TDP1HDAC3
SCHEMBL7015451 0.74 SRD5A2 (0.44) PIK3CDPIK3CBTP53TDP1PIK3CA
SCHEMBL7018034 0.74 HPGD (0.42) PIK3CDPIK3CBTP53TDP1HDAC3
SCHEMBL11732551 0.69 RECQL (0.54) TP53TDP1HDAC3HDAC1HDAC2

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