SCHEMBL6174000

SCHEMBL6174000

CC(c1ccncc1NC(=O)c1ccccc1Cl)C1NC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KCNK2 O95069 1/20 0.35
KCNK10 P57789 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP11B2 P19099 1/20 0.35
JAK2 O60674 1/20 0.34
TYK2 P29597 1/20 0.34
GRM4 Q14833 2/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 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
SCHEMBL6173495 0.89 KCNK2 (0.41) KCNK2KCNK10LMNAMAPTGAA
SCHEMBL6177285 0.88 TDP1 (0.42) DCTPP1ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL6173749 0.88 KCNK2 (0.42) KCNK2KCNK10NPC1LMNAMAPT
SCHEMBL6173116 0.86 KCNK2 (0.38) ALDH1A1KCNK2KCNK10CYP1A2CYP3A4
SCHEMBL6175146 0.84 LMNA (0.39) ALDH1A1KCNK2KCNK10CYP1A2NPC1
SCHEMBL6174745 0.83 IGF1R (0.34) NPC1RAB9ALMNASMN1; SMN2IGF1R
SCHEMBL6174079 0.83 KCNK2 (0.45) ALDH1A1KCNK2KCNK10CYP3A4CYP2C19
SCHEMBL6174730 0.83 RXFP1 (0.39) ALDH1A1LMNAMAPTTSHRL3MBTL1
SCHEMBL6171775 0.82 IGF1R (0.38) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL6173954 0.82 IGF1R (0.36) LMNAIGF1R

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