SCHEMBL6173517

SCHEMBL6173517

CC(c1ccncc1C(=O)N1CCN(c2ccccc2)CC1)C1(C(C)c2ccncc2C(=O)N2CCN(c3ccccc3)CC2)NC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 2/20 0.36
USP2 O75604 2/20 0.36
TSHR P16473 1/20 0.36
MDM2 Q00987 1/20 0.36
TACR1 P25103 1/20 0.35
HTT P42858 3/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
IGF1R P08069 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 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
SCHEMBL6175204 0.91 IGF1R (0.38) ALDH1A1TP53MDM2TACR1HTT
SCHEMBL6175279 0.90 FKBP1A (0.37) ALDH1A1MEN1KMT2ATACR1IGF1R
SCHEMBL6172665 0.87 SLC6A9 (0.38) ALDH1A1MEN1KMT2ATP53USP2
SCHEMBL6174315 0.85 IGF1R (0.41) ALDH1A1LMNAIGF1R
SCHEMBL6171813 0.83 IGF1R (0.41) ALDH1A1LMNAIGF1R
SCHEMBL6172569 0.83 IGF1R (0.36) ALDH1A1KMT2ALMNAIGF1R
SCHEMBL6173461 0.81 IGF1R (0.39) ALDH1A1MEN1KMT2ATP53TACR1
SCHEMBL6172480 0.80 IGF1R (0.39) ALDH1A1LMNAIGF1R
SCHEMBL6173832 0.79 IGF1R (0.40) ALDH1A1KMT2ATSHRLMNAIGF1R
SCHEMBL6174310 0.78 IGF1R (0.43) ALDH1A1IGF1R

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