SCHEMBL5797263

SCHEMBL5797263

COCCOc1cc2c(cc1OC)c(-c1cccn1S(=O)(=O)c1ccc(C)cc1)cn2C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
IGF1R P08069 1/20 0.39
RAPGEF4 Q8WZA2 2/20 0.38
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR6 P50406 6/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35
BRD4 O60885 2/20 0.34

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
SCHEMBL5794582 0.92 TP53 (0.39) TP53IGF1RRAPGEF4TRIM24TRIM33
SCHEMBL5794793 0.92 TP53 (0.39) TP53IGF1RRAPGEF4TRIM24TRIM33
SCHEMBL5795812 0.92 TP53 (0.39) TP53IGF1RRAPGEF4TRIM24TRIM33
SCHEMBL5795308 0.92 TP53 (0.39) TP53IGF1RRAPGEF4TRIM24TRIM33
SCHEMBL5793330 0.91 TP53 (0.43) TP53IGF1RRAPGEF4TRIM24TRIM33
SCHEMBL5795269 0.91 MEN1 (0.40) TP53IGF1RRAPGEF4TRIM24TRIM33
SCHEMBL5795360 0.90 TP53 (0.37) TP53IGF1RRAPGEF4TRIM24TRIM33
SCHEMBL5795248 0.87 SRD5A1 (0.41) TP53IGF1RRAPGEF4TRIM24TRIM33
SCHEMBL5794232 0.86 BRD4 (0.42) KMT2AHTR6BRD4
SCHEMBL5795079 0.86 TP53 (0.39) TP53IGF1RTRIM24TRIM33MEN1

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
EP-1732546-A2 NOVEL PYRROLO (2,3-B)PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS Aventis Pharma S.A. (FR) 2006-12-20 EP disclosed
WO-2005095399-A2 NOVEL PYRROLO (2,3-B)PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2005-10-13 WO disclosed