SCHEMBL6173166

SCHEMBL6173166

CN1C(=S)N(c2ccc(OC(F)(F)F)cc2)C(=O)C1(C)Cc1ccnc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.43
LCK P06239 1/20 0.43
RET P07949 1/20 0.43
CYP3A4 P08684 1/20 0.43
KIT P10721 1/20 0.43
KDR P35968 1/20 0.43
MAP3K20 Q9NYL2 1/20 0.43
RIPK3 Q9Y572 1/20 0.43
IGF1R P08069 2/20 0.43
ELOVL6 Q9H5J4 1/20 0.36
ELOVL3 Q9HB03 1/20 0.36
AR P10275 1/20 0.35
KCNH2 Q12809 2/20 0.34
SCN9A Q15858 2/20 0.34
SCN5A Q14524 1/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
BRD4 O60885 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
SCHEMBL2933782 0.83 IGF1R (0.60) RAF1LCKRETCYP3A4KIT
SCHEMBL2939459 0.77 IGF1R (0.60) RAF1LCKRETCYP3A4KIT
SCHEMBL2936903 0.76 IGF1R (0.72) RAF1LCKRETCYP3A4KIT
SCHEMBL13039192 0.76 IGF1R (0.58) RAF1LCKRETCYP3A4KIT
Trifluoroacetic Acid SCHEMBL2933028 0.72 IGF1R (0.65) RAF1LCKRETCYP3A4KIT
SCHEMBL2938311 0.72 IGF1R (0.55) RAF1LCKRETCYP3A4KIT
SCHEMBL2933031 0.70 RAF1 (0.40) RAF1LCKRETCYP3A4KIT
SCHEMBL6170677 0.69 IGF1R (0.48) IGF1RARKCNH2TRPV1
SCHEMBL6175751 0.68 AR (0.41) RAF1LCKRETCYP3A4KIT
Trifluoroacetic Acid SCHEMBL2941717 0.68 IGF1R (0.51) RAF1LCKRETCYP3A4KIT

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