SCHEMBL6172334

SCHEMBL6172334

CC1(Cc2ccncc2-c2ccc(F)cc2)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.40
TP53 P04637 1/20 0.39
AR P10275 4/20 0.37
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SLC22A12 Q96S37 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.32
NAMPT P43490 1/20 0.32
RORC P51449 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
SCHEMBL6171779 0.92 IGF1R (0.40) IGF1RARKMT2ALMNASLC22A12
SCHEMBL6175293 0.92 IGF1R (0.45) IGF1RTP53ARKMT2ATSHR
SCHEMBL6175003 0.91 CYP3A4 (0.43) IGF1RARSLC22A12ALDH1A1PTGS2
SCHEMBL6172113 0.85 IGF1R (0.40) IGF1RARKMT2AHTTALDH1A1
SCHEMBL6173328 0.85 IGF1R (0.44) IGF1RTP53ARKMT2ALMNA
SCHEMBL6175170 0.85 IGF1R (0.44) IGF1RTP53ARKMT2ALMNA
SCHEMBL6175255 0.85 IGF1R (0.44) IGF1RTP53ARKMT2ALMNA
SCHEMBL6174749 0.85 AR (0.38) ARKMT2ATSHRLMNAHTT
SCHEMBL6171903 0.84 IGF1R (0.45) IGF1RTP53ARKMT2ATSHR
SCHEMBL6169737 0.84 IGF1R (0.43) IGF1RARKMT2ALMNAALDH1A1

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