SCHEMBL6174089

SCHEMBL6174089

CC(c1ccncc1NNC(=O)c1ccccc1)C1NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.36
IGF1R P08069 2/20 0.35
RXFP1 Q9HBX9 2/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 2/20 0.31
NAMPT P43490 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDM4D Q6B0I6 1/20 0.30
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL6174451 0.87 LMNA (0.40) GAALMNAMAPK1ALDH1A1CYP3A4
SCHEMBL6175990 0.85 KIF11 (0.37) IGF1RRXFP1LMNANAMPT
SCHEMBL6172433 0.83 GAA (0.38) GAARXFP1
SCHEMBL6176021 0.83 IGF1R (0.34) IGF1RRXFP1LMNAMAPK1
SCHEMBL6173243 0.83 METAP2 (0.37) IGF1RRXFP1LMNANAMPT
SCHEMBL6171910 0.82 NAMPT (0.47) NAMPTCYP2C9
SCHEMBL6174116 0.82 IGF1R (0.33) IGF1RLMNA
SCHEMBL6174685 0.82 RXFP1 (0.36) IGF1RRXFP1LMNANAMPT
SCHEMBL6177570 0.81 ALDH1A1 (0.40) GAAIGF1RRXFP1LMNAALDH1A1
SCHEMBL6174217 0.81 IGF1R (0.38) GAAIGF1RRXFP1LMNAALDH1A1

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