SCHEMBL6177630

SCHEMBL6177630

CC(C)c1cc(C(C)C2(C(C)c3ccnc(C(C)C)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 2/20 0.39
AR P10275 5/20 0.39
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
PGR P06401 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
PDE4D Q08499 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TRPV3 Q8NET8 3/20 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
SCHEMBL6201343 0.88 PTGS2 (0.40) IGF1RARKMT2ASMN1; SMN2TP53
SCHEMBL6203204 0.87 IGF1R (0.40) IGF1RARKMT2ASMN1; SMN2TP53
SCHEMBL6175073 0.87 IGF1R (0.38) IGF1RARKMT2ASMN1; SMN2TP53
SCHEMBL6175022 0.86 IGF1R (0.40) IGF1RARKMT2ASMN1; SMN2TP53
SCHEMBL6172914 0.86 IGF1R (0.38) IGF1RARKMT2ASMN1; SMN2TP53
SCHEMBL6207888 0.86 IGF1R (0.40) IGF1RARKMT2ASMN1; SMN2TP53
SCHEMBL6174586 0.84 TP53 (0.39) IGF1RARKMT2ATP53LMNA
SCHEMBL6171849 0.84 IGF1R (0.39) IGF1RARKMT2ASMN1; SMN2TP53
SCHEMBL6173200 0.84 KMT2A (0.37) IGF1RARKMT2ASMN1; SMN2TP53
SCHEMBL6169038 0.84 IGF1R (0.39) IGF1RARKMT2ASMN1; SMN2TP53

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