SCHEMBL6202665

SCHEMBL6202665

CC(c1ccncc1N1CCCCC1)C1(C(C)c2ccncc2N2CCCCC2)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.42
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.33
IGF1R P08069 1/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
AR P10275 1/20 0.31
GAA P10253 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 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
SCHEMBL6172452 0.91 HTT (0.36) SMN1; SMN2LMNAMAPK1HTTMAPT
SCHEMBL6174716 0.85 KMT2A (0.36) SMN1; SMN2LMNAMAPK1HTTCYP3A4
SCHEMBL6173352 0.85 CYP3A4 (0.35) CYP3A4CYP2D6TSHRMAPTDPP4
SCHEMBL6173489 0.85 DPP4 (0.36) SMN1; SMN2LMNAMAPK1HTTCYP3A4
SCHEMBL6176692 0.84 KMT2A (0.36) SMN1; SMN2LMNAMAPK1HTTCYP3A4
SCHEMBL6173750 0.84 KMT2A (0.39) SMN1; SMN2LMNAMAPK1HTTCYP3A4
SCHEMBL6173546 0.83 KMT2A (0.36) SMN1; SMN2LMNAMAPK1HTTCYP3A4
SCHEMBL6172116 0.83 IGF1R (0.40) SMN1; SMN2LMNAMAPK1HTTMAPT
SCHEMBL6172022 0.83 KMT2A (0.36) SMN1; SMN2LMNAMAPK1HTTCYP3A4
SCHEMBL6177145 0.81 IGF1R (0.40) SMN1; SMN2LMNAMAPK1HTTCYP3A4

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