SCHEMBL6169038

SCHEMBL6169038

CCNc1cc(C(C)C2(C(C)c3ccnc(NCC)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 6/20 0.39
AR P10275 2/20 0.36
KMT2A Q03164 3/20 0.35
TRPV3 Q8NET8 4/20 0.35
LMNA P02545 3/20 0.35
TSHR P16473 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
THRB P10828 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 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
ALOX12 P18054 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
SCHEMBL6175073 0.90 IGF1R (0.38) IGF1RARKMT2ATRPV3LMNA
SCHEMBL6173200 0.88 KMT2A (0.37) IGF1RARKMT2ATRPV3LMNA
SCHEMBL6203204 0.86 IGF1R (0.40) IGF1RARKMT2ATRPV3LMNA
SCHEMBL6175857 0.86 KMT2A (0.36) IGF1RARKMT2ATRPV3LMNA
SCHEMBL6175269 0.86 MAPT (0.40) IGF1RARKMT2ATRPV3THRB
SCHEMBL6174238 0.85 KDM4E (0.42) IGF1RARKMT2ATRPV3LMNA
SCHEMBL6174561 0.85 IGF1R (0.40) IGF1RARKMT2ATSHRMAPK1
SCHEMBL6173508 0.85 IGF1R (0.56) IGF1RAR
SCHEMBL6201343 0.84 PTGS2 (0.40) IGF1RARKMT2ATRPV3LMNA
SCHEMBL6177630 0.84 IGF1R (0.39) IGF1RARKMT2ATRPV3LMNA

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