SCHEMBL4793563

SCHEMBL4793563

O=C(O)c1ccc(-c2cnc(Nc3cccc(S(=O)(=O)CO)c3)nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.50
SYK P43405 1/20 0.47
GSK3B P49841 4/20 0.47
CAMKK2 Q96RR4 3/20 0.47
MAPK8 P45983 1/20 0.47
PIK3CG P48736 1/20 0.47
BRAF P15056 1/20 0.46
TNNI3K Q59H18 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
CAMK2D Q13557 2/20 0.43
AXL P30530 2/20 0.41
SGK1 O00141 1/20 0.41
GSK3A P49840 2/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL1734253 0.81 CSNK2A1 (0.54) CSNK2A1SYKGSK3BCAMKK2MAPK8
SCHEMBL6016825 0.72 SYK (0.65) SYKGSK3BMAPK8CAMK2DAXL
SCHEMBL13472148 0.70 CSNK2A1 (0.73) CSNK2A1GSK3BHDAC3HDAC1HDAC2
SCHEMBL27040648 0.69 RHOA (0.60) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL29818028 0.68 HDAC1 (0.60) CSNK2A1SYKGSK3BCAMKK2MAPK8
SCHEMBL1735277 0.67 CSNK2A1 (0.68) CSNK2A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL5495448 0.67 RHOA (0.53) CSNK2A1SYKHDAC3HDAC1HDAC2
Trifluoroacetic Acid SCHEMBL8085100 0.67 SYK (0.71) SYKGSK3BCAMKK2MAPK8PIK3CG
SCHEMBL180770 0.67 HDAC3 (0.46) CSNK2A1SYKGSK3BCAMKK2MAPK8
SCHEMBL29817836 0.66 HDAC6 (0.51) CSNK2A1GSK3BCAMKK2MAPK8PIK3CG

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
WO-2007038669-A9 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC 2008-05-29 WO disclosed