SCHEMBL6175073

SCHEMBL6175073

CNc1cc(C(C)C2(C(C)c3ccnc(NC)c3)NC(=O)N(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2=O)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.38
AR P10275 2/20 0.38
KMT2A Q03164 3/20 0.37
TSHR P16473 2/20 0.35
TP53 P04637 2/20 0.35
TRPV3 Q8NET8 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP2C9 P11712 2/20 0.33
THRB P10828 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
PGR P06401 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 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
SCHEMBL6173200 0.90 KMT2A (0.37) IGF1RARKMT2ATSHRTP53
SCHEMBL6169038 0.90 IGF1R (0.39) IGF1RARKMT2ATSHRTP53
SCHEMBL6175857 0.88 KMT2A (0.36) IGF1RARKMT2ATSHRTP53
SCHEMBL6177630 0.87 IGF1R (0.39) IGF1RARKMT2ATSHRTP53
SCHEMBL6201343 0.87 PTGS2 (0.40) IGF1RARKMT2ATSHRTP53
SCHEMBL6173443 0.86 IGF1R (0.38) IGF1RARKMT2ATSHRTP53
SCHEMBL6174238 0.85 KDM4E (0.42) IGF1RARKMT2ATSHRTRPV3
SCHEMBL6175145 0.85 ALDH1A1 (0.40) IGF1RKMT2ATSHRCYP2C9LMNA
SCHEMBL6203204 0.85 IGF1R (0.40) IGF1RARKMT2ATSHRTP53
SCHEMBL6174924 0.85 EPHX2 (0.39) IGF1RKMT2ATSHRTP53SMN1; SMN2

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