SCHEMBL6178301

SCHEMBL6178301

CC(c1ccnc(C(=O)N2CCOCC2)c1)C1(C(C)c2ccnc(C(=O)N3CCOCC3)c2)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.41
ABL1 P00519 6/20 0.39
BCR P11274 1/20 0.39
GPR139 Q6DWJ6 1/20 0.37
MAPK7 Q13164 1/20 0.37
PKM P14618 1/20 0.36
IDH1 O75874 2/20 0.35
PDE4B Q07343 1/20 0.35
LIPE Q05469 1/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL6176573 0.90 KCNA5 (0.41) EPHX2MAPK7
SCHEMBL6173405 0.87 IGF1R (0.40)
SCHEMBL6175941 0.87 PTGS2 (0.39)
SCHEMBL6173023 0.85 IGF1R (0.38) EPHX2ABL1GPR139
SCHEMBL4849527 0.85 PDE2A (0.37) EPHX2ABL1GPR139
SCHEMBL6172577 0.85 ABL1 (0.46) ABL1BCRGPR139
SCHEMBL6174541 0.82 SLC5A1 (0.40) GPR139
SCHEMBL6171821 0.82 PDE2A (0.39) EPHX2GPR139LIPE
SCHEMBL6172198 0.81 EPHX2 (0.43) EPHX2ABL1BCRMAPK7PKM
SCHEMBL6172200 0.81 EPHX2 (0.40) EPHX2ABL1BCRGPR139MAPK7

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