SCHEMBL6177902

SCHEMBL6177902

CC(c1ccncc1C(N)=O)C1(C(C)c2ccncc2C(N)=O)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NAMPT P43490 1/20 0.34
KMT2A Q03164 2/20 0.34
IGF1R P08069 2/20 0.34
LMNA P02545 2/20 0.32
KIF11 P52732 1/20 0.32
AR P10275 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL6171082 0.92 ALDH1A1 (0.35) CYP2C9CYP3A4GAACYP2C19ALDH1A1
SCHEMBL6173613 0.89 KIF11 (0.37) CYP2C9CYP3A4GAACYP2C19ALDH1A1
SCHEMBL6172647 0.87 CYP3A4 (0.35) CYP2C9CYP3A4GAACYP2C19ALDH1A1
SCHEMBL6173546 0.87 KMT2A (0.36) CYP2C9CYP3A4GAACYP2C19ALDH1A1
SCHEMBL6173489 0.86 DPP4 (0.36) CYP2C9CYP3A4GAACYP2C19ALDH1A1
SCHEMBL6173750 0.86 KMT2A (0.39) CYP2C9CYP3A4GAACYP2C19ALDH1A1
SCHEMBL6176692 0.86 KMT2A (0.36) CYP2C9CYP3A4GAACYP2C19ALDH1A1
SCHEMBL6172103 0.86 RXFP1 (0.42) CYP2C9CYP3A4GAACYP2C19ALDH1A1
SCHEMBL6171994 0.86 ALDH1A1 (0.37) CYP2C9CYP3A4GAACYP2C19ALDH1A1
SCHEMBL6176027 0.86 HRH4 (0.33) CYP2C9CYP3A4GAACYP2C19ALDH1A1

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