SCHEMBL6174466

SCHEMBL6174466

CC(c1ccnc(Nc2ccc(N3CCOCC3)nc2)c1)C1(C(C)c2ccnc(Nc3ccc(N4CCOCC4)nc3)c2)NC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
IGF1R P08069 7/20 0.40
MAPK10 P53779 8/20 0.37
MAPK13 O15264 3/20 0.37
MAPK12 P53778 3/20 0.37
MAPK11 Q15759 3/20 0.37
MAPK14 Q16539 3/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.35
MAPT P10636 1/20 0.34
STAT3 P40763 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
JAK2 O60674 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
SCHEMBL6173502 0.86 IGF1R (0.38) IGF1RABL1
SCHEMBL6173548 0.83 IGF1R (0.47) IGF1RMAPK10MAPK8MAPK9
SCHEMBL6174011 0.82 IGF1R (0.56) IGF1R
SCHEMBL6177880 0.82 IGF1R (0.48) IGF1R
SCHEMBL6172563 0.80 IGF1R (0.43) IGF1R
SCHEMBL6171531 0.80 IGF1R (0.44) SYKIGF1R
SCHEMBL6176345 0.80 IGF1R (0.53) IGF1R
SCHEMBL6173344 0.79 IGF1R (0.42) SYKIGF1R
SCHEMBL6175947 0.79 IGF1R (0.46) IGF1R
SCHEMBL6175543 0.79 IGF1R (0.56) IGF1R

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 4 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 claimed
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 claimed
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