SCHEMBL6171763

SCHEMBL6171763

CC(=O)Nc1cnccc1C(C)C1NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.34
CXCR3 P49682 1/20 0.34
FLT1 P17948 2/20 0.34
KDR P35968 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
DYRK1A Q13627 1/20 0.34
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34
TRPV1 Q8NER1 2/20 0.33
ABL1 P00519 1/20 0.33
LIPE Q05469 1/20 0.33
NTRK1 P04629 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
BRAF P15056 1/20 0.33

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
SCHEMBL6176663 0.92 LMNA (0.39) LMNANPC1RAB9AL3MBTL1POLB
SCHEMBL6174779 0.91 LMNA (0.36) LMNANPC1RAB9AL3MBTL1POLB
SCHEMBL6173186 0.89 LMNA (0.40) LMNANPC1RAB9AL3MBTL1POLB
SCHEMBL6174987 0.88 GAA (0.41) LMNANPC1RAB9APOLBMAPT
SCHEMBL6277100 0.88 GSK3A (0.38) NPC1RAB9AMAPTGSK3AGSK3B
SCHEMBL6175831 0.88 NPC1 (0.46) LMNANPC1RAB9AKDR
SCHEMBL6172197 0.88 LMNA (0.40) LMNANPC1RAB9AL3MBTL1POLB
SCHEMBL6177285 0.88 TDP1 (0.42) LMNAMAPTGSK3AGSK3BLIPE
SCHEMBL6175651 0.88 GSK3B (0.41) LMNAL3MBTL1MAPTGSK3AGSK3B
SCHEMBL6173298 0.86 LMNA (0.39) LMNAL3MBTL1POLBMAPTCXCR3

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