SCHEMBL6172022

SCHEMBL6172022

CC(C)Nc1cnccc1C(C)C1(C(C)c2ccncc2NC(C)C)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 2/20 0.34
IGF1R P08069 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NAMPT P43490 1/20 0.33
AR P10275 3/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
AOC1 P19801 2/20 0.32
AOC3 Q16853 2/20 0.32
THRB P10828 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
SCHEMBL6172704 0.88 KMT2A (0.35) KMT2ACYP2C9IGF1RTP53CYP3A4
SCHEMBL6173613 0.88 KIF11 (0.37) KMT2ACYP2C9IGF1RTP53CYP3A4
SCHEMBL6172451 0.88 KMT2A (0.36) KMT2ACYP2C9IGF1RTP53CYP3A4
SCHEMBL6173750 0.87 KMT2A (0.39) KMT2ACYP2C9IGF1RTP53CYP3A4
SCHEMBL6176692 0.87 KMT2A (0.36) KMT2ACYP2C9IGF1RTP53CYP3A4
SCHEMBL6173546 0.86 KMT2A (0.36) KMT2ACYP2C9IGF1RTP53CYP3A4
SCHEMBL6174716 0.86 KMT2A (0.36) KMT2ACYP2C9IGF1RTP53CYP3A4
SCHEMBL6174137 0.85 CYP2C9 (0.36) KMT2ACYP2C9IGF1RTP53CYP3A4
SCHEMBL6173386 0.85 ALDH1A1 (0.41) KMT2ACYP2C9IGF1RCYP3A4GAA
SCHEMBL6173766 0.84 RXFP1 (0.39) 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