SCHEMBL6171849

SCHEMBL6171849

CCN(CC)c1cc(C(C)C2(C(C)c3ccnc(N(CC)CC)c3)NC(=O)N(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2=O)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.39
HRH4 Q9H3N8 8/20 0.37
AR P10275 3/20 0.36
TRPV3 Q8NET8 4/20 0.35
KMT2A Q03164 2/20 0.33
TP53 P04637 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
PGR P06401 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
PDE4D Q08499 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6203204 0.86 IGF1R (0.40) IGF1RHRH4ARTRPV3KMT2A
SCHEMBL6174028 0.85 POLB (0.35) HRH4ARCYP3A4CYP2C9CYP2C19
SCHEMBL6175196 0.85 IGF1R (0.45) IGF1RAR
SCHEMBL6177630 0.84 IGF1R (0.39) IGF1RHRH4ARTRPV3KMT2A
SCHEMBL6201343 0.84 PTGS2 (0.40) IGF1RHRH4ARTRPV3KMT2A
SCHEMBL6169038 0.84 IGF1R (0.39) IGF1RHRH4ARTRPV3KMT2A
SCHEMBL6207888 0.84 IGF1R (0.40) IGF1RHRH4ARTRPV3KMT2A
SCHEMBL6175022 0.84 IGF1R (0.40) IGF1RHRH4ARTRPV3KMT2A
SCHEMBL6175073 0.83 IGF1R (0.38) IGF1RHRH4ARTRPV3KMT2A
SCHEMBL6172914 0.82 IGF1R (0.38) IGF1RHRH4ARTRPV3KMT2A

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