SCHEMBL5219634

SCHEMBL5219634

Cc1ccc(NC(=O)Oc2ccc3c(c2)OCO3)cc1Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
ABL1 P00519 5/20 0.54
BCR P11274 5/20 0.54
PDGFRB P09619 3/20 0.54
HDAC3 O15379 1/20 0.54
KDR P35968 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
PDGFRA P16234 2/20 0.53
KIT P10721 2/20 0.53

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
SCHEMBL10082535 0.86 ABL1 (0.66) GAAABL1BCRPDGFRBHDAC3
SCHEMBL5221060 0.85 GAA (0.59) GAAABL1BCRPDGFRBHDAC3
SCHEMBL4832910 0.80 GAA (0.64) GAAABL1BCRPDGFRBHDAC3
Cyclohexane SCHEMBL5218897 0.80 GAA (0.69) GAAABL1BCRPDGFRBHDAC3
SCHEMBL716370 0.79 GAA (0.63) GAAABL1BCRPDGFRBHDAC3
SCHEMBL4832914 0.79 ABL1 (0.62) GAAABL1BCRPDGFRBHDAC3
SCHEMBL27632593 0.78 ABL1 (0.66) GAAABL1BCRPDGFRBHDAC3
SCHEMBL4825993 0.78 ABL1 (0.70) GAAABL1BCRPDGFRBHDAC3
SCHEMBL715436 0.78 GAA (0.61) GAAABL1BCRPDGFRBHDAC3
SCHEMBL207468 0.77 PTGS2 (0.77) GAAMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1525200-B1 2-(3-AMINOARYL)AMINO-4-ARYL-THIAZOLES AND THEIR USE AS C-KIT INHIBITORS AB SCIENCE (FR) 2007-10-10 EP claimed