SCHEMBL13200845

SCHEMBL13200845

COc1cccc2sc(NC(=O)Cc3ccc(OCc4ccccc4)cc3)nc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
GAA P10253 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
DYRK1A Q13627 1/20 0.56
DUSP3 P51452 3/20 0.56
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
CSNK1D P48730 5/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TMIGD3 P0DMS9 1/20 0.52
ADORA1 P30542 1/20 0.52
SCD O00767 1/20 0.52
MET P08581 1/20 0.51
CHRM4 P08173 1/20 0.51
ACP1 P24666 1/20 0.51
KMT2A Q03164 2/20 0.49

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
SCHEMBL13234642 0.87 POLB (0.61) POLBGAAL3MBTL1DYRK1ADUSP3
SCHEMBL20671497 0.82 DUSP3 (0.62) POLBGAAL3MBTL1DYRK1ADUSP3
SCHEMBL13200871 0.82 CSNK1D (0.77) POLBGAADYRK1ACSNK1DNFKB1
SCHEMBL1042240 0.80 DYRK1A (0.65) POLBGAAL3MBTL1DYRK1ADUSP3
SCHEMBL9333376 0.77 DYRK1A (0.74) POLBGAAL3MBTL1DYRK1ADUSP3
SCHEMBL13200869 0.77 WNT3A (0.64) DYRK1ACSNK1DNFKB1NFKB2RELA
SCHEMBL3052053 0.77 DYRK1A (0.66) POLBGAAL3MBTL1DYRK1ADUSP3
SCHEMBL8350097 0.76 DYRK1A (0.72) POLBGAAL3MBTL1DYRK1ADUSP3
SCHEMBL7931743 0.76 DYRK1A (0.72) POLBGAAL3MBTL1DYRK1ADUSP3
SCHEMBL20660046 0.76 DYRK1A (0.80) POLBGAAL3MBTL1DYRK1ADUSP3

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
US-7767670-B2 Substituted 3-carboxamido isoxazoles as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-08-03 US disclosed
US-7767670-B2 Substituted 3-carboxamido isoxazoles as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-08-03 US disclosed