SCHEMBL5220386

SCHEMBL5220386

CC(C)(C)C1CCCCC1.Cc1ccc(NC(=O)O)cc1Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
ABL1 P00519 10/20 0.56
BCR P11274 10/20 0.56
PDGFRB P09619 2/20 0.56
HDAC3 O15379 1/20 0.56
KDR P35968 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
EGFR P00533 1/20 0.56
ERBB2 P04626 1/20 0.56

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
Cyclohexane SCHEMBL5218897 0.91 GAA (0.69) GAAABL1BCRPDGFRBHDAC3
SCHEMBL5216325 0.91 GAA (0.61) GAAABL1BCRPDGFRBHDAC3
SCHEMBL714193 0.88 GAA (0.58) GAAABL1BCRPDGFRBHDAC3
SCHEMBL10083419 0.86 GAA (0.62) GAAABL1BCRPDGFRBHDAC3
SCHEMBL4832910 0.81 GAA (0.64) GAAABL1BCRPDGFRBHDAC3
SCHEMBL29275408 0.81 GAA (0.66) GAAABL1BCRPDGFRBHDAC3
SCHEMBL1096984 0.81 ABL1 (0.75) GAAABL1BCRPDGFRBHDAC3
SCHEMBL10082809 0.80 GAA (0.61) GAAABL1BCRPDGFRBHDAC3
SCHEMBL10083816 0.80 GAA (0.54) GAAABL1BCRPDGFRBHDAC3
SCHEMBL5579274 0.80 GAA (0.67) GAAABL1BCRPDGFRBHDAC3

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