SCHEMBL6170249

SCHEMBL6170249

CC1(Cc2ccncc2C(=N)N)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.40
AR P10275 4/20 0.36
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 2/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.32
ITGAL P20701 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
MAPT P10636 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
SCHEMBL6171133 0.87 IGF1R (0.40) IGF1RARNAMPTALDH1A1CYP2C9
SCHEMBL6174655 0.85 IGF1R (0.39) IGF1RARNAMPTALDH1A1CYP2C9
SCHEMBL6173328 0.85 IGF1R (0.44) IGF1RARNAMPTALDH1A1CYP2C9
SCHEMBL6175255 0.85 IGF1R (0.44) IGF1RARNAMPTALDH1A1CYP2C9
SCHEMBL6175170 0.85 IGF1R (0.44) IGF1RARNAMPTALDH1A1CYP2C9
SCHEMBL6175985 0.84 IGF1R (0.41) IGF1RARNAMPTALDH1A1CYP2C9
SCHEMBL6171403 0.84 IGF1R (0.43) IGF1RARNAMPTALDH1A1CYP2C9
SCHEMBL6171997 0.83 IGF1R (0.41) IGF1RARNAMPTALDH1A1CYP2C9
Trifluoroacetic Acid SCHEMBL17558421 0.83 IGF1R (0.41) IGF1RARNAMPTALDH1A1CYP2C9
Trifluoroacetic Acid SCHEMBL17558372 0.83 IGF1R (0.41) IGF1RARNAMPTALDH1A1CYP2C9

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