SCHEMBL6174110

SCHEMBL6174110

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTR1F P30939 2/20 0.39
CBLB Q13191 4/20 0.36
ALDH1A1 P00352 2/20 0.36
AR P10275 1/20 0.36
MAPK14 Q16539 3/20 0.35
NR3C2 P08235 1/20 0.34
IGF1R P08069 1/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
BUB1 O43683 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
SCHEMBL6172184 0.94 NPC1 (0.39) NPC1RAB9ACBLBALDH1A1IGF1R
SCHEMBL6176337 0.92 NPC1 (0.39) NPC1RAB9ACBLBALDH1A1MAPK14
SCHEMBL6175133 0.88 GRM5 (0.43) NPC1RAB9ACBLBALDH1A1MAPK14
SCHEMBL6176013 0.86 IGF1R (0.41) NPC1RAB9AHTR1FMAPK14IGF1R
SCHEMBL6174034 0.85 CBLB (0.36) NPC1RAB9ACBLBALDH1A1IGF1R
SCHEMBL6174217 0.85 IGF1R (0.38) NPC1RAB9ACBLBALDH1A1IGF1R
SCHEMBL6175377 0.84 IGF1R (0.35) CBLBALDH1A1MAPK14IGF1R
SCHEMBL6173894 0.83 IGF1R (0.37) IGF1R
SCHEMBL6173893 0.83 LMNA (0.39) CBLBALDH1A1NR3C2IGF1R
SCHEMBL6177752 0.82 IGF1R (0.37) 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