SCHEMBL13014247

SCHEMBL13014247

CC1=C(/C=N/OCc2ccccc2)C(c2ccccc2)c2c(n(-c3ccccc3)c(=O)[nH]c2=O)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.45
BRDT Q58F21 6/20 0.45
BRD2 P25440 1/20 0.45
BRD3 Q15059 1/20 0.45
GAA P10253 4/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 2/20 0.35
USP2 O75604 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 6/20 0.34
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL3433462 1.00 BRD4 (0.45) BRD4BRDTBRD2BRD3GAA
SCHEMBL3434768 0.81 BRD4 (0.39) BRD4BRDTBRD2BRD3GAA
SCHEMBL3434014 0.74 BRD4 (0.45) BRD4BRDTBRD2BRD3GAA
SCHEMBL3433034 0.73 BRD4 (0.48) BRD4BRDTBRD2BRD3GAA
SCHEMBL2725332 0.73 BRD4 (0.60) BRD4BRDTBRD2BRD3GAA
SCHEMBL9976375 0.73 BRD4 (0.48) BRD4BRDTBRD2BRD3GAA
SCHEMBL13012896 0.72 BRD4 (0.39) BRD4BRDTBRD2BRD3GAA
SCHEMBL3432096 0.72 BRD4 (0.39) BRD4BRDTBRD2BRD3GAA
SCHEMBL13012739 0.70 BRD4 (0.46) BRD4BRDTBRD2BRD3GAA
SCHEMBL3435004 0.66 BRD4 (0.48) BRD4BRDTBRD2BRD3GAA

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-2010149786-A1 PYRIDO [2, 3-D] PYRIMIDINES AS WNT ANTAGONISTS FOR TREATMENT OF CANCER AND ARTHRITIS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2010-12-29 WO disclosed