SCHEMBL6172234

SCHEMBL6172234

CCOc1cc(CC2(C)NC(=O)N(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2=O)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.47
AR P10275 6/20 0.39
ITGAL P20701 1/20 0.37
KMT2A Q03164 2/20 0.34
TP53 P04637 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
PGR P06401 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
PDE4D Q08499 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL6174483 0.92 IGF1R (0.42) IGF1RARITGALKMT2ATP53
SCHEMBL6173181 0.89 IGF1R (0.43) IGF1RARITGALKMT2ATP53
SCHEMBL6177892 0.88 IGF1R (0.43) IGF1RARITGALKMT2ALMNA
SCHEMBL6173575 0.86 IGF1R (0.44) IGF1RARITGALKMT2ATP53
SCHEMBL6171047 0.85 IGF1R (0.48) IGF1RARITGALKMT2ATP53
SCHEMBL6174369 0.84 IGF1R (0.45) IGF1RARITGALKMT2ATSHR
SCHEMBL6175004 0.84 IGF1R (0.42) IGF1RARITGALKMT2ATP53
SCHEMBL6175984 0.84 IGF1R (0.66) IGF1RITGAL
SCHEMBL6175141 0.83 IGF1R (0.47) IGF1RARITGALKMT2ATP53
SCHEMBL6172121 0.83 AR (0.44) IGF1RARITGALKMT2ATP53

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