SCHEMBL6171502

SCHEMBL6171502

CCCCOC(=O)Nc1cnccc1CC1(C)NC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 14/20 0.39
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 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
SCHEMBL6172175 0.91 IGF1R (0.37) IGF1RCYP3A4GAACYP2C9CYP2C19
SCHEMBL6174742 0.87 IGF1R (0.40) IGF1RCYP3A4GAACYP2C9CYP2C19
SCHEMBL6175557 0.87 GAA (0.36) IGF1RCYP3A4GAACYP2C9CYP2C19
SCHEMBL6175144 0.86 IGF1R (0.39) IGF1RCYP3A4GAACYP2C9CYP2C19
SCHEMBL6174077 0.84 CYP3A4 (0.49) IGF1RCYP3A4GAACYP2C9CYP2C19
SCHEMBL2938900 0.84 IGF1R (0.56) IGF1R
SCHEMBL6173492 0.83 KCNK2 (0.41) IGF1RCYP3A4GAACYP2C9CYP2C19
SCHEMBL6171796 0.83 IGF1R (0.36) IGF1RCYP3A4GAACYP2C9CYP2C19
SCHEMBL6171771 0.82 IGF1R (0.41) IGF1RMAPTKMT2A
SCHEMBL6173746 0.82 LMNA (0.42) IGF1RCYP3A4GAACYP2C9CYP2C19

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