SCHEMBL6171792

SCHEMBL6171792

CC(c1ccnc2ccc(F)cc12)C1(C(C)c2ccnc3ccc(F)cc23)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.44
TP53 P04637 2/20 0.37
AR P10275 3/20 0.36
RIPK2 O43353 4/20 0.35
KCNH2 Q12809 2/20 0.35
GAK O14976 1/20 0.35
LCK P06239 1/20 0.35
TGFBR1 P36897 1/20 0.35
MAPK14 Q16539 1/20 0.35
RIPK3 Q9Y572 1/20 0.35
KMT2A Q03164 3/20 0.34
TSHR P16473 2/20 0.34
IDO1 P14902 1/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 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

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
SCHEMBL6176113 0.93 IGF1R (0.42) IGF1RTP53ARRIPK2KCNH2
SCHEMBL6173145 0.90 IGF1R (0.43) IGF1RTP53ARKMT2ATSHR
SCHEMBL6174619 0.90 IGF1R (0.43) IGF1RTP53ARKMT2ATSHR
SCHEMBL6174623 0.89 IGF1R (0.42) IGF1RTP53ARKMT2ATSHR
SCHEMBL6172835 0.89 IGF1R (0.42) IGF1RTP53ARRIPK2RIPK3
SCHEMBL6174593 0.89 IGF1R (0.42) IGF1RARKMT2ALMNAMEN1
SCHEMBL6172572 0.83 IGF1R (0.41) IGF1RTP53ARKMT2ATSHR
SCHEMBL6171628 0.82 IGF1R (0.42) IGF1RTP53ARKMT2ATSHR
SCHEMBL6172276 0.81 IGF1R (0.41) IGF1RTP53ARKMT2ATSHR
SCHEMBL6175187 0.80 IGF1R (0.42) IGF1RTP53ARKMT2ATSHR

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