SCHEMBL7022045

SCHEMBL7022045

CSc1nc(OC(C)OC(C)=O)c2ccn(Cc3ccc(C(=O)c4ccc(Cl)cc4)cc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.44
FLT3 P36888 5/20 0.44
FYN P06241 5/20 0.44
TP53 P04637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ABL1 P00519 1/20 0.38
KMT2A Q03164 2/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.32

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
SCHEMBL7014812 0.85 SRC (0.49) SRCFLT3FYNTP53TDP1
SCHEMBL7014759 0.83 SRC (0.48) SRCFLT3FYNTP53TDP1
SCHEMBL7022050 0.83 SRC (0.47) SRCFLT3FYNTP53TDP1
SCHEMBL7020160 0.81 SRC (0.46) SRCFLT3FYNTP53TDP1
SCHEMBL7008873 0.77 TP53 (0.42) SRCFLT3FYNTP53TDP1
SCHEMBL7019301 0.71 TP53 (0.45) SRCFLT3FYNTP53TDP1
SCHEMBL7008875 0.70 TP53 (0.42) SRCFLT3FYNTP53TDP1
SCHEMBL7010809 0.70 TP53 (0.48) SRCFLT3FYNTP53TDP1
SCHEMBL7018715 0.70 TP53 (0.48) SRCFLT3FYNTP53TDP1
SCHEMBL7015465 0.70 TP53 (0.46) SRCFLT3FYNTP53TDP1

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