SCHEMBL6172376

SCHEMBL6172376

CC(c1ccnc(OC(=O)c2ccccc2)c1)C1(C(C)c2ccnc(OC(=O)c3ccccc3)c2)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
PDE2A O00408 7/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM5A P29375 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
LMNA P02545 1/20 0.34
ATP1A1 P05023 1/20 0.34
ATP1B1 P05026 1/20 0.34
ATP1A3 P13637 1/20 0.34
ATP1B2 P14415 1/20 0.34
ATP1A2 P50993 1/20 0.34
ATP1B3 P54709 1/20 0.34
FXYD2 P54710 1/20 0.34
ATP1A4 Q13733 1/20 0.34

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
SCHEMBL6174624 0.88 IGF1R (0.39) ALDH1A1PDE2ALMNA
SCHEMBL6175536 0.88 IGF1R (0.37) ALDH1A1KMT2ACYP3A4GAACYP2C9
SCHEMBL6171821 0.85 PDE2A (0.39) ALDH1A1PDE2ACYP3A4GAACYP2C9
SCHEMBL6172274 0.85 CYP3A4 (0.40) ALDH1A1PDE2ACYP3A4GAACYP2C9
SCHEMBL4849527 0.84 PDE2A (0.37) ALDH1A1PDE2ACYP3A4GAACYP2C9
SCHEMBL6174616 0.84 IGF1R (0.40) PDE2AKMT2ACYP3A4GAACYP2C9
SCHEMBL6176861 0.83 PDE2A (0.39) PDE2AKMT2ACYP3A4GAACYP2C9
SCHEMBL6173023 0.82 IGF1R (0.38) ALDH1A1PDE2ACYP3A4GAACYP2C9
SCHEMBL6174008 0.82 POLB (0.41) PDE2AKMT2ACYP3A4GAACYP2C9
SCHEMBL17558396 0.82 POLB (0.39) ALDH1A1PDE2AKMT2ACYP3A4GAA

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