SCHEMBL2936828

SCHEMBL2936828

Cc1cnccc1CCN1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)[C@H]1C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.58
SMO Q99835 4/20 0.34
CTSS P25774 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS2 P35354 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NAMPT P43490 1/20 0.30
HRH4 Q9H3N8 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
SCHEMBL2936802 0.90 IGF1R (0.67) IGF1RSMOCTSS
SCHEMBL2936799 0.90 IGF1R (0.67) IGF1RSMOCTSS
SCHEMBL2999392 0.90 IGF1R (0.67) IGF1RSMOCTSS
Trifluoroacetic Acid SCHEMBL2937627 0.85 IGF1R (0.61) IGF1RSMOCTSSNAMPT
Trifluoroacetic Acid SCHEMBL3732089 0.85 IGF1R (0.61) IGF1RSMOCTSSNAMPT
Trifluoroacetic Acid SCHEMBL3736464 0.85 IGF1R (0.61) IGF1RSMOCTSSNAMPT
SCHEMBL2936954 0.82 IGF1R (0.67) IGF1RSMOCTSSPTGS2LMNA
SCHEMBL2939398 0.82 IGF1R (0.67) IGF1RSMOCTSSPTGS2LMNA
SCHEMBL2932195 0.82 IGF1R (0.67) IGF1RSMOCTSSLMNAMAPK1
SCHEMBL2936676 0.82 IGF1R (0.66) IGF1RSMOCTSSLMNAMAPK1

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