SCHEMBL6172915

SCHEMBL6172915

CC1(Cc2ccnc3cccc(N)c23)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.51
AR P10275 6/20 0.35
KMT2A Q03164 2/20 0.33
HRH4 Q9H3N8 3/20 0.32
MBOAT4 Q96T53 1/20 0.32
TP53 P04637 2/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
PGR P06401 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
PDE4D Q08499 1/20 0.31
SMN1; SMN2 Q16637 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 0.90 IGF1R (0.52) IGF1RARKMT2AMBOAT4TP53
SCHEMBL6173676 0.90 IGF1R (0.52) IGF1RARKMT2ATP53TSHR
SCHEMBL6173567 0.90 IGF1R (0.51) IGF1RARKMT2ATP53LMNA
SCHEMBL6169082 0.88 IGF1R (0.50) IGF1RARKMT2ATP53CYP3A4
SCHEMBL6171503 0.86 IGF1R (0.65) IGF1RARKMT2AHRH4TP53
SCHEMBL6175292 0.86 IGF1R (0.65) IGF1RARKMT2AHRH4TP53
SCHEMBL6175290 0.85 IGF1R (0.43) IGF1R
SCHEMBL6250335 0.82 IGF1R (0.51) IGF1RARKMT2AHRH4MBOAT4
Trifluoroacetic Acid SCHEMBL17558350 0.82 IGF1R (0.60) IGF1RARKMT2ALMNACYP1A2
Trifluoroacetic Acid SCHEMBL17558459 0.82 IGF1R (0.60) IGF1RARKMT2ALMNACYP1A2

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