SCHEMBL6172435

SCHEMBL6172435

CC1(Cc2ccncc2CN)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.37
AR P10275 4/20 0.37
ITGAL P20701 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
CTSD P07339 5/20 0.32
BACE1 P56817 5/20 0.32
BACE2 Q9Y5Z0 5/20 0.32
GCGR P47871 1/20 0.32
REN P00797 1/20 0.32

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
SCHEMBL6176402 0.89 SLC6A4 (0.36) POLBL3MBTL1CYP3A4GAACYP2C9
SCHEMBL6173695 0.87 ITGAL (0.40) POLBL3MBTL1CYP3A4GAACYP2C9
SCHEMBL6176355 0.86 CYP3A4 (0.40) POLBL3MBTL1CYP3A4GAACYP2C9
SCHEMBL6173183 0.85 CYP3A4 (0.39) POLBL3MBTL1CYP3A4GAACYP2C9
SCHEMBL6170496 0.85 CYP3A4 (0.40) POLBL3MBTL1CYP3A4GAACYP2C9
SCHEMBL6173294 0.84 CYP3A4 (0.38) POLBL3MBTL1CYP3A4GAACYP2C9
SCHEMBL6176657 0.83 CYP3A4 (0.40) POLBL3MBTL1CYP3A4GAACYP2C9
SCHEMBL6174749 0.83 AR (0.38) POLBL3MBTL1CYP3A4GAACYP2C9
SCHEMBL6172191 0.83 AOC1 (0.38) POLBL3MBTL1CYP3A4GAACYP2C9
SCHEMBL6172098 0.82 AR (0.37) POLBL3MBTL1CYP3A4GAACYP2C9

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