SCHEMBL6173595

SCHEMBL6173595

CNC(=O)c1cc(CC2(C)NC(=O)N(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2=O)ccn1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.49
PARP1 P09874 1/20 0.38
AR P10275 2/20 0.37
ITGAL P20701 1/20 0.36
RAF1 P04049 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C19 P33261 1/20 0.35
BRAF P15056 3/20 0.34
KIT P10721 2/20 0.34
NAMPT P43490 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33

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
SCHEMBL6175141 0.90 IGF1R (0.47) IGF1RARITGALKMT2ACYP2C9
SCHEMBL6174831 0.89 IGF1R (0.41) IGF1RITGALKMT2ACYP2C9BRAF
SCHEMBL6173981 0.88 IGF1R (0.40) IGF1RARITGALKMT2ACYP2C9
SCHEMBL6172261 0.85 IGF1R (0.49) IGF1RPARP1ARITGALRAF1
SCHEMBL6173575 0.83 IGF1R (0.44) IGF1RARITGALKMT2ACYP2C9
SCHEMBL6173889 0.82 IGF1R (0.50) IGF1RARITGALKMT2ABRAF
SCHEMBL6172968 0.82 ITGAL (0.37) IGF1RARITGALKMT2ACYP2C9
SCHEMBL6174483 0.82 IGF1R (0.42) IGF1RARITGALKMT2ACYP2C9
SCHEMBL6175004 0.82 IGF1R (0.42) IGF1RARITGALKMT2ACYP2C9
SCHEMBL6172182 0.82 LMNA (0.44) IGF1RARITGALKMT2ACYP2C9

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