SCHEMBL6172368

SCHEMBL6172368

Cc1cccc2nccc(CC3(C)NC(=O)N(c4ccc(S(=O)(=O)C(F)(F)F)cc4)C3=O)c12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.52
AR P10275 6/20 0.36
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.32
PARP1 P09874 1/20 0.32
THRB P10828 1/20 0.32
TRPV3 Q8NET8 1/20 0.31
MBOAT4 Q96T53 1/20 0.31
ITGAL P20701 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
SCHEMBL6173676 0.91 IGF1R (0.52) IGF1RARKMT2ATP53TSHR
SCHEMBL6172915 0.90 IGF1R (0.51) IGF1RARKMT2ATP53SMN1; SMN2
SCHEMBL6173567 0.90 IGF1R (0.51) IGF1RARKMT2ATP53THRB
SCHEMBL6169082 0.89 IGF1R (0.50) IGF1RARKMT2ATP53TSHR
SCHEMBL6171503 0.87 IGF1R (0.65) IGF1RARKMT2ATP53SMN1; SMN2
SCHEMBL6175292 0.87 IGF1R (0.65) IGF1RARKMT2ATP53SMN1; SMN2
SCHEMBL6175236 0.86 IGF1R (0.50) IGF1RARKMT2ATP53EGLN1
Trifluoroacetic Acid SCHEMBL17558350 0.83 IGF1R (0.60) IGF1RARKMT2ASMN1; SMN2ITGAL
Trifluoroacetic Acid SCHEMBL17558459 0.83 IGF1R (0.60) IGF1RARKMT2ASMN1; SMN2ITGAL
SCHEMBL6174186 0.83 IGF1R (0.51) IGF1RARKMT2ATP53SMN1; SMN2

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