SCHEMBL2940864

SCHEMBL2940864

O=C1[C@H](Cc2ccccn2)N(Cc2ccnc3ccccc23)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.72
KMT2A Q03164 3/20 0.40
MAPK1 P28482 1/20 0.40
HSD11B1 P28845 1/20 0.36
HRH4 Q9H3N8 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
OXTR P30559 1/20 0.32
ALDH1A1 P00352 3/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MAPT P10636 3/20 0.31
MT-CO2 P00403 1/20 0.31
ALOX5 P09917 1/20 0.31
MEN1 O00255 2/20 0.31

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
SCHEMBL2940866 1.00 IGF1R (0.72) IGF1RKMT2AMAPK1HSD11B1HRH4
Trifluoroacetic Acid SCHEMBL3726914 0.95 IGF1R (0.66) IGF1RKMT2AMAPK1HSD11B1PTGDR2
SCHEMBL2931269 0.90 IGF1R (0.74) IGF1RKMT2AMAPK1HSD11B1PTGDR2
SCHEMBL2931273 0.90 IGF1R (0.74) IGF1RKMT2AMAPK1HSD11B1PTGDR2
SCHEMBL2934912 0.86 IGF1R (0.70) IGF1RKMT2AMAPK1HSD11B1PTGDR2
SCHEMBL2934906 0.86 IGF1R (0.70) IGF1RKMT2AMAPK1HSD11B1PTGDR2
Trifluoroacetic Acid SCHEMBL3739554 0.86 IGF1R (0.69) IGF1RKMT2AMAPK1HSD11B1PTGDR2
SCHEMBL2937105 0.86 IGF1R (0.69) IGF1RKMT2AMAPK1HSD11B1ALDH1A1
SCHEMBL2937103 0.86 IGF1R (0.69) IGF1RKMT2AMAPK1HSD11B1ALDH1A1
SCHEMBL2937245 0.85 IGF1R (0.51) IGF1RKMT2AMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599464-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2010-09-22 EP disclosed
EP-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed