SCHEMBL6169082

SCHEMBL6169082

COc1cccc2nccc(CC3(C)NC(=O)N(c4ccc(S(=O)(=O)C(F)(F)F)cc4)C3=O)c12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.50
AR P10275 4/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 2/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
TSHR P16473 1/20 0.31
ELANE P08246 1/20 0.31

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
SCHEMBL6172368 0.89 IGF1R (0.52) IGF1RARTP53KMT2ATHRB
SCHEMBL6173676 0.89 IGF1R (0.52) IGF1RARMAPTTP53KMT2A
SCHEMBL6172915 0.88 IGF1R (0.51) IGF1RARALDH1A1CYP3A4CYP2C9
SCHEMBL6173567 0.88 IGF1R (0.51) IGF1RARMAPTCYP2C9TP53
SCHEMBL6176094 0.87 IGF1R (0.49) IGF1RARMAPTALDH1A1CYP3A4
SCHEMBL6176190 0.85 IGF1R (0.39) IGF1R
SCHEMBL6171503 0.85 IGF1R (0.65) IGF1RARTP53KMT2ATSHR
SCHEMBL6175292 0.85 IGF1R (0.65) IGF1RARTP53KMT2ATSHR
SCHEMBL6173786 0.81 IGF1R (0.50) IGF1RARMAPTALDH1A1CYP3A4
SCHEMBL2937919 0.81 IGF1R (0.73) IGF1R

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