SCHEMBL6174845

SCHEMBL6174845

CC1(Cc2ccnc(-c3ccccc3)c2)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
EGLN3 Q9H6Z9 1/20 0.37
ITGAL P20701 1/20 0.37
AR P10275 2/20 0.37
CHRM5 P08912 1/20 0.37
MAT2A P31153 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 1/20 0.36
PTGS2 P35354 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
MMP2 P08253 3/20 0.35
MMP1 P03956 2/20 0.35
MMP3 P08254 2/20 0.35
MMP9 P14780 2/20 0.35
TRPA1 O75762 1/20 0.35
FAAH O00519 3/20 0.35
KDM5A P29375 1/20 0.35
KDM2B Q8NHM5 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
SCHEMBL6174753 0.92 MAT2A (0.43) ITGALARMAT2APOLBL3MBTL1
SCHEMBL6171101 0.92 TRPA1 (0.43) ITGALARMAT2APOLBL3MBTL1
SCHEMBL6174785 0.90 ITGAL (0.41) NTRK1ITGALAR
SCHEMBL6174653 0.88 ITGAL (0.39) NTRK1ITGALARCHRM5POLB
SCHEMBL6173776 0.85 IGF1R (0.38) NTRK1ITGALARPOLBL3MBTL1
SCHEMBL6174690 0.85 IGF1R (0.48) ITGAL
SCHEMBL6173435 0.85 IGF1R (0.45) NTRK1ITGALARPOLBL3MBTL1
SCHEMBL6175657 0.85 IGF1R (0.45) NTRK1ITGALARPOLBL3MBTL1
SCHEMBL6176754 0.85 ITGAL (0.44) NTRK1ITGALARPOLBL3MBTL1
SCHEMBL6177034 0.84 IGF1R (0.40) ITGALARPOLBL3MBTL1PTGS2

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