SCHEMBL6176514

SCHEMBL6176514

CC(c1ccnc(NC(=O)NCc2ccccc2)c1)C1NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.41
MAPK1 P28482 8/20 0.39
IGF1R P08069 2/20 0.38
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
MAP3K5 Q99683 1/20 0.34
CHRM4 P08173 1/20 0.34
KIT P10721 1/20 0.34
BRAF P15056 1/20 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
SCHEMBL6175033 0.87 MAPK1 (0.41) NAMPTMAPK1
SCHEMBL6173973 0.87 IGF1R (0.46) MAPK1IGF1R
SCHEMBL6175063 0.86 IGF1R (0.38) NAMPTMAPK1IGF1R
SCHEMBL6173893 0.85 LMNA (0.39) MAPK1IGF1R
SCHEMBL6175377 0.83 IGF1R (0.35) IGF1RMAPK14
SCHEMBL6174034 0.83 CBLB (0.36) IGF1R
SCHEMBL6174217 0.82 IGF1R (0.38) IGF1R
SCHEMBL6171910 0.82 NAMPT (0.47) NAMPT
SCHEMBL6174110 0.82 NPC1 (0.39) IGF1RMAPK14
SCHEMBL6172184 0.82 NPC1 (0.39) IGF1R

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