SCHEMBL6174087

SCHEMBL6174087

CC1(Cc2ccncc2NNC(=O)c2ccccc2)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 4/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.36
NAMPT P43490 1/20 0.35
RXFP1 Q9HBX9 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 2/20 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
SCHEMBL6174447 0.87 ALDH1A1 (0.44) ALDH1A1GAACYP3A4CYP2C9CYP2C19
SCHEMBL6175985 0.85 IGF1R (0.41) IGF1RALDH1A1GAACYP3A4CYP2C9
SCHEMBL6171908 0.84 NAMPT (0.49) IGF1RCYP2C9NAMPT
SCHEMBL6172432 0.83 ALDH1A1 (0.38) IGF1RALDH1A1GAACYP3A4CYP2C9
SCHEMBL2938326 0.83 IGF1R (0.59) IGF1RCYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL6173238 0.83 IGF1R (0.41) IGF1RALDH1A1NAMPTKMT2ALMNA
SCHEMBL6174148 0.82 IGF1R (0.40) IGF1RALDH1A1GAACYP3A4CYP2C9
SCHEMBL6176020 0.82 IGF1R (0.40) IGF1RALDH1A1GAACYP3A4CYP2C9
SCHEMBL6174113 0.82 IGF1R (0.40) IGF1RALDH1A1GAACYP3A4CYP2C9
SCHEMBL6177570 0.81 ALDH1A1 (0.40) IGF1RALDH1A1GAACYP3A4CYP2C9

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