SCHEMBL2937103

SCHEMBL2937103

O=C1[C@@H](Cc2csc3ccccc23)N(Cc2ccnc3ccccc23)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.69
HSD11B1 P28845 1/20 0.34
XIAP P98170 1/20 0.33
PTGS2 P35354 3/20 0.32
PTGS1 P23219 1/20 0.32
KMT2A Q03164 3/20 0.30
MAPK1 P28482 1/20 0.30
LMNA P02545 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
HSP90AA1 P07900 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL2937105 1.00 IGF1R (0.69) IGF1RHSD11B1XIAPPTGS2PTGS1
Trifluoroacetic Acid SCHEMBL3730823 0.95 IGF1R (0.63) IGF1RHSD11B1XIAPKMT2AMAPK1
SCHEMBL2931273 0.87 IGF1R (0.74) IGF1RHSD11B1KMT2AMAPK1LMNA
SCHEMBL2931269 0.87 IGF1R (0.74) IGF1RHSD11B1KMT2AMAPK1LMNA
SCHEMBL2937762 0.87 IGF1R (0.50) IGF1RPTGS2PTGS1KMT2AKDM4E
SCHEMBL2937759 0.87 IGF1R (0.50) IGF1RPTGS2PTGS1KMT2AKDM4E
SCHEMBL2940866 0.86 IGF1R (0.72) IGF1RHSD11B1KMT2AMAPK1LMNA
SCHEMBL2940864 0.86 IGF1R (0.72) IGF1RHSD11B1KMT2AMAPK1LMNA
SCHEMBL2934912 0.84 IGF1R (0.70) IGF1RHSD11B1XIAPKMT2AMAPK1
SCHEMBL2934906 0.84 IGF1R (0.70) IGF1RHSD11B1XIAPKMT2AMAPK1

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-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