SCHEMBL6172200

SCHEMBL6172200

CC(c1ccnc(C(=O)N2CCOCC2)c1)C1NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.40
ALDH1A1 P00352 1/20 0.38
GPR139 Q6DWJ6 1/20 0.37
ABL1 P00519 2/20 0.37
BCR P11274 1/20 0.37
MAPK7 Q13164 3/20 0.37
LIPE Q05469 2/20 0.36
PKM P14618 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3R2 O00459 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PIK3R5 Q8WYR1 1/20 0.35
PIK3R3 Q92569 1/20 0.35
LRRK2 Q5S007 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
JAK2 O60674 1/20 0.35
FASN P49327 1/20 0.35
LMNA P02545 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
SCHEMBL6175676 0.92 EPHX2 (0.44) EPHX2MAPK7LIPEHRH3LMNA
SCHEMBL6173346 0.91 EPHX2 (0.40) EPHX2GPR139ABL1BCRMAPK7
SCHEMBL6173122 0.90 KCNA5 (0.41) EPHX2ALDH1A1LMNA
SCHEMBL6177038 0.85 LMNA (0.42) EPHX2GPR139LMNA
SCHEMBL6171578 0.82 LMNA (0.39) GPR139LMNA
SCHEMBL6173854 0.82 LMNA (0.45) LIPELMNA
SCHEMBL6251397 0.81 EPHX2 (0.39) EPHX2ALDH1A1ABL1BCRMAPK7
SCHEMBL6178301 0.81 EPHX2 (0.41) EPHX2GPR139ABL1BCRMAPK7
SCHEMBL6175179 0.80 ABL1 (0.44) EPHX2ABL1LMNA
SCHEMBL6175578 0.79 LMNA (0.42) GPR139LIPELMNA

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