SCHEMBL6174602

SCHEMBL6174602

O=C1N[C@@](Cc2ccncc2)(Cc2ccc(O)cc2)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
GAA P10253 1/20 0.37
IGF1R P08069 3/20 0.36
AR P10275 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
THPO P40225 1/20 0.35
NAMPT P43490 2/20 0.35
PTPRZ1 P23471 1/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL17558342 0.88 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19GAAIGF1R
SCHEMBL6172549 0.85 IGF1R (0.37) CYP3A4CYP2C9CYP2C19GAAIGF1R
Trifluoroacetic Acid SCHEMBL17558384 0.81 IGF1R (0.51) IGF1RARALDH1A1NAMPTPTPRZ1
SCHEMBL6172121 0.81 AR (0.44) CYP3A4CYP2C9CYP2C19GAAIGF1R
SCHEMBL6178355 0.81 AR (0.44) CYP3A4CYP2C9CYP2C19GAAIGF1R
Trifluoroacetic Acid SCHEMBL17558354 0.79 AR (0.40) CYP3A4CYP2C9CYP2C19GAAIGF1R
Trifluoroacetic Acid SCHEMBL17558366 0.79 IGF1R (0.38) CYP3A4CYP2C9CYP2C19GAAIGF1R
SCHEMBL6172757 0.75 IGF1R (0.57) IGF1RARALDH1A1NAMPTKMT2A
SCHEMBL2939941 0.71 IGF1R (0.44) GAAIGF1RALDH1A1PTPRZ1KMT2A
SCHEMBL2939939 0.71 IGF1R (0.44) GAAIGF1RALDH1A1PTPRZ1KMT2A

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-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