SCHEMBL27632593

SCHEMBL27632593

Cc1ccc(NC(=O)c2ccc(OC(=O)NC(C)(C)C)cc2)cc1Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 16/20 0.66
BCR P11274 15/20 0.66
PDGFRB P09619 6/20 0.66
HDAC3 O15379 2/20 0.66
KDR P35968 2/20 0.66
HDAC4 P56524 2/20 0.66
HDAC1 Q13547 2/20 0.66
HDAC7 Q8WUI4 2/20 0.66
HDAC2 Q92769 2/20 0.66
HDAC10 Q969S8 2/20 0.66
HDAC11 Q96DB2 2/20 0.66
HDAC8 Q9BY41 2/20 0.66
HDAC6 Q9UBN7 2/20 0.66
HDAC9 Q9UKV0 2/20 0.66
HDAC5 Q9UQL6 2/20 0.66
PDGFRA P16234 4/20 0.62
EGFR P00533 2/20 0.62
ERBB2 P04626 1/20 0.62
LCK P06239 1/20 0.62
FYN P06241 1/20 0.62

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
SCHEMBL714758 0.87 ABL1 (0.73) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL4825993 0.86 ABL1 (0.70) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL4087640 0.86 ABL1 (0.82) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL3719554 0.85 ABL1 (0.73) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL3794413 0.85 ABL1 (0.76) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL714756 0.85 ABL1 (0.76) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL715666 0.85 ABL1 (0.76) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL1096984 0.85 ABL1 (0.75) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL716168 0.85 ABL1 (0.75) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL717529 0.85 ABL1 (0.69) ABL1BCRPDGFRBHDAC3KDR

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
CN-100491374-C 2-(3-aminoaryl)amino-4-aryl-thiazoles and their use as C-KIT inhibitors AB SCIENCE (FR) 2009-05-27 CN disclosed
CN-1684959-A 2-(3-aminoaryl)amino-4-aryl-thiazoles and their use as C-KIT inhibitors AB SCIENCE (FR) 2005-10-19 CN disclosed