SCHEMBL1082009

SCHEMBL1082009

O=C(O)Nc1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.56
HTR6 P50406 6/20 0.38
PIK3C3 Q8NEB9 3/20 0.36
PLK1 P53350 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 1/20 0.35
PTPN11 Q06124 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
MET P08581 1/20 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
SCHEMBL1046992 0.86 BRD4 (0.50) BRD4HTR6PIK3C3LMNA
SCHEMBL1046989 0.85 BRD4 (0.49) BRD4PIK3C3
SCHEMBL1042704 0.84 BRD4 (0.56) BRD4HTR6MEN1KMT2AMET
SCHEMBL1050312 0.82 BRD4 (0.64) BRD4HTR6LMNASMN1; SMN2PTPN11
SCHEMBL20396921 0.80 BRD4 (0.51) BRD4PIK3C3PTPN11
SCHEMBL17939505 0.80 BRD4 (0.52) BRD4PTPN11
SCHEMBL1082937 0.80 BRD4 (0.54) BRD4HTR6PIK3C3PLK1MEN1
SCHEMBL1887325 0.79 BRD4 (0.58) BRD4HTR6HTR2AHTR7MET
SCHEMBL1799967 0.79 BRD4 (0.67) BRD4HTR6PTPN11MET
SCHEMBL1043519 0.79 BRD4 (0.58) BRD4HTR6MEN1KMT2ASMN1; 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
EP-2454257-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
WO-2011008915-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO disclosed