SCHEMBL6184295

SCHEMBL6184295

O=C1CN(Cc2ccnc(C3=NCCN3)c2)C(=O)N1c1ccccc1SC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.34
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
KIT P10721 1/20 0.33
BRAF P15056 1/20 0.33
SCN9A Q15858 2/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
IGF1R P08069 7/20 0.32
ENPP2 Q13822 1/20 0.32
KCNN4 O15554 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL2938640 0.84 IGF1R (0.44) IGF1R
SCHEMBL2942430 0.77 NISCH (0.43) NISCHCYP1A2KDM4ESCN9AENPP2
SCHEMBL2939413 0.77 IGF1R (0.36) NISCHKITBRAFIGF1RENPP2
SCHEMBL2939458 0.71 ENPP2 (0.49) IGF1RENPP2
SCHEMBL2935795 0.71 IGF1R (0.46) IGF1RENPP2
SCHEMBL2939228 0.69 IGF1R (0.55) IGF1R
SCHEMBL2938633 0.68 IGF1R (0.47) IGF1RENPP2
SCHEMBL2939143 0.68 IGF1R (0.69) IGF1R
SCHEMBL2936521 0.68 IGF1R (0.44) IGF1R
SCHEMBL2938971 0.67 IGF1R (0.44) IGF1R

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