SCHEMBL6174276

SCHEMBL6174276

CCN(CC)CCOC(=O)Nc1cc(C(C)C2(C(C)c3ccnc(NC(=O)OCCN(CC)CC)c3)NC(=O)N(c3ccc(OC(F)(F)F)cc3)C2=O)ccn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
PDE2A O00408 6/20 0.33
MCHR1 Q99705 3/20 0.33
IGF1R P08069 1/20 0.33
MAPT P10636 1/20 0.33
SLC5A1 P13866 1/20 0.32
CYP3A4 P08684 2/20 0.32
KDR P35968 2/20 0.32
AAK1 Q2M2I8 1/20 0.32
NTRK1 P04629 1/20 0.32
CBLB Q13191 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE5A O76074 1/20 0.32
PDE1A P54750 1/20 0.32
PDE3A Q14432 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
PDGFRB P09619 1/20 0.32

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
SCHEMBL6175414 0.91 MAPK1 (0.36) MAPK1PDE2AIGF1RMAPTSLC5A1
SCHEMBL6176257 0.90 MAPT (0.41) MAPK1PDE2AIGF1RMAPTSLC5A1
SCHEMBL6174597 0.85 MAPK1 (0.38) MAPK1PDE2AIGF1RSLC5A1CYP3A4
SCHEMBL6176554 0.84 BRAF (0.42) MAPK1PDE2AIGF1RMAPTSLC5A1
SCHEMBL6176861 0.83 PDE2A (0.39) MAPK1PDE2ASLC5A1CYP3A4GAA
SCHEMBL6175308 0.83 IGF1R (0.39) MCHR1IGF1RMAPTSLC5A1CYP3A4
SCHEMBL6175310 0.82 MCHR1 (0.35) MAPK1PDE2AMCHR1SLC5A1KDR
SCHEMBL6174561 0.82 IGF1R (0.40) MAPK1PDE2AIGF1RSLC5A1CYP3A4
SCHEMBL6172274 0.81 CYP3A4 (0.40) MAPK1PDE2ACYP3A4NTRK1CBLB
SCHEMBL6171179 0.81 POLB (0.37) MAPK1PDE2AMCHR1IGF1RCYP3A4

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