SCHEMBL2941507

SCHEMBL2941507

COc1cc(OC)cc(C(=O)Nc2cc(CN3C(=O)N(c4ccc(C(F)(F)F)cc4S)C(=O)C3(C)C)ccn2)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 18/20 0.51
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL2934022 0.93 IGF1R (0.49) IGF1RHDAC1HDAC6MAPTMAPK1
SCHEMBL2942056 0.89 IGF1R (0.53) IGF1R
SCHEMBL2940677 0.85 IGF1R (0.55) IGF1R
SCHEMBL2943419 0.85 IGF1R (0.55) IGF1R
SCHEMBL2941761 0.84 IGF1R (0.55) IGF1R
SCHEMBL2992288 0.83 IGF1R (0.49) IGF1RHDAC1HDAC6KDM4EMAPT
SCHEMBL2941504 0.82 IGF1R (0.75) IGF1R
SCHEMBL2990255 0.82 IGF1R (0.54) IGF1R
SCHEMBL6204686 0.81 IGF1R (0.45) IGF1RHDAC1HDAC6KDM4E
SCHEMBL2995898 0.81 IGF1R (0.51) 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-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2010-09-22 EP 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 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-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2010-09-22 EP disclosed