SCHEMBL13613784

SCHEMBL13613784

COC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ncc(N)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 2/20 0.59
PLK1 P53350 1/20 0.45
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC40A1 Q9NP59 1/20 0.40
BRD4 O60885 1/20 0.40
HTR6 P50406 2/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL1894844 0.87 MEN1 (0.59) KMT2AMEN1PLK1LMNASMN1; SMN2
SCHEMBL496782 0.83 MEN1 (0.55) KMT2AMEN1PLK1LMNASMN1; SMN2
SCHEMBL497459 0.81 MEN1 (0.67) KMT2AMEN1PLK1LMNASMN1; SMN2
SCHEMBL1773389 0.80 HTR6 (0.51) BRD4HTR6DRD2HTR2AHTR7
SCHEMBL1773252 0.77 BRD4 (0.58) BRD4HTR6DRD2HTR2AHTR7
SCHEMBL14687940 0.76 MEN1 (0.47) KMT2AMEN1PLK1LMNASMN1; SMN2
SCHEMBL1082937 0.76 BRD4 (0.54) KMT2AMEN1PLK1LMNASMN1; SMN2
SCHEMBL28735169 0.75 MEN1 (0.52) KMT2AMEN1PLK1LMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL1046149 0.75 BRD4 (0.51) PLK1LMNASMN1; SMN2BRD4HTR6
SCHEMBL2886421 0.74 KMT2A (1.00) KMT2AMEN1PLK1LMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1704147-B1 PYRROLO[2,3-b] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION COMPRISING THEM PFIZER ITALIA SRL (IT) 2009-11-04 EP disclosed