SCHEMBL6173765

SCHEMBL6173765

COc1ccc(C(=O)Nc2cc(C(C)C3NC(=O)N(c4ccc(SC(F)(F)F)cc4)C3=O)ccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 3/20 0.44
KCNK10 P57789 2/20 0.43
IGF1R P08069 4/20 0.42
PDE2A O00408 5/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
F2 P00734 1/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37

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
SCHEMBL6176013 0.91 IGF1R (0.41) KCNK2IGF1RPDE2ANPC1RAB9A
SCHEMBL6175275 0.91 IGF1R (0.41) KCNK2KCNK10IGF1RNPC1RAB9A
SCHEMBL6174760 0.91 IGF1R (0.41) KCNK2KCNK10IGF1RPDE2ANPC1
SCHEMBL6176337 0.87 NPC1 (0.39) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6177806 0.85 IGF1R (0.43) IGF1RPDE2A
SCHEMBL6174274 0.83 GCGR (0.42) PDE2ANPC1RAB9AMEN1KMT2A
SCHEMBL6177171 0.83 IGF1R (0.46) IGF1RPDE2AALDH1A1GAA
SCHEMBL6175934 0.83 IGF1R (0.41) IGF1RNPC1RAB9AALDH1A1TP53
SCHEMBL6174200 0.83 IGF1R (0.40) IGF1RPDE2A
SCHEMBL6177584 0.83 IGF1R (0.38) KCNK2KCNK10IGF1RPDE2A

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