SCHEMBL13200869

SCHEMBL13200869

O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1nc2ccc(F)cc2s1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 3/20 0.64
CSNK1D P48730 9/20 0.60
SCD O00767 1/20 0.60
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HSD17B10 Q99714 1/20 0.57
LRRK2 Q5S007 1/20 0.55
DYRK2 Q92630 1/20 0.55
DYRK1A Q13627 1/20 0.55
PAX8 Q06710 1/20 0.55
MET P08581 1/20 0.54

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
SCHEMBL13200871 0.87 CSNK1D (0.77) WNT3ACSNK1DSCDNFKB1NFKB2
SCHEMBL4914800 0.80 CSNK1D (0.87) WNT3ACSNK1DSCDKMT2AMEN1
SCHEMBL1726569 0.78 WNT3A (1.00) WNT3ACSNK1DDYRK1A
SCHEMBL17287636 0.78 CSNK1D (0.80) WNT3ACSNK1DNFKB1NFKB2RELA
SCHEMBL23136935 0.78 CSNK1D (0.78) WNT3ACSNK1DSMN1; SMN2KMT2AMEN1
SCHEMBL13766283 0.77 CSNK1D (0.70) CSNK1DNFKB1NFKB2RELASMN1; SMN2
SCHEMBL13200845 0.77 POLB (0.63) CSNK1DSCDNFKB1NFKB2RELA
SCHEMBL15112847 0.76 CSNK1D (0.72) WNT3ACSNK1DSMN1; SMN2KMT2AMEN1
SCHEMBL8665133 0.76 NPC1 (0.51) WNT3ACSNK1DSMN1; SMN2KMT2AMEN1
SCHEMBL14189668 0.76 CSNK1D (0.77) CSNK1DNFKB1NFKB2RELASMN1; SMN2

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