SCHEMBL6176622

SCHEMBL6176622

O=C1NC(Cc2ccncc2)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.40
GAA P10253 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 1/20 0.37
KCNH2 Q12809 1/20 0.36
LARS1 Q9P2J5 1/20 0.35
NAMPT P43490 1/20 0.34
ROCK2 O75116 1/20 0.34
PTPRZ1 P23471 1/20 0.34
TAS2R8 Q9NYW2 2/20 0.34

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
SCHEMBL6174167 0.84 IGF1R (0.43) IGF1RALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL6175516 0.81 IGF1R (0.52) IGF1RGAACYP1A2CYP3A4CYP2C19
SCHEMBL6175765 0.78 IGF1R (0.62) IGF1RGAACYP1A2CYP3A4CYP2C19
Trifluoroacetic Acid SCHEMBL17558387 0.73 IGF1R (0.56) IGF1RCYP1A2NAMPT
SCHEMBL2940931 0.73 IGF1R (0.50) IGF1RGAALMNA
SCHEMBL2940925 0.73 IGF1R (0.50) IGF1RGAALMNA
SCHEMBL2939667 0.73 IGF1R (0.64) IGF1RALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL2940692 0.73 IGF1R (0.64) IGF1RALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL2939674 0.73 IGF1R (0.64) IGF1RALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL2939939 0.72 IGF1R (0.44) IGF1RGAAALDH1A1SMN1; SMN2HTT

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 claimed
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 claimed