SCHEMBL6177701

SCHEMBL6177701

CC1(Cc2ccnc(NC(=O)C3CCCCC3)c2)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 2/20 0.41
ALK Q9UM73 9/20 0.41
ROS1 P08922 6/20 0.41
KDR P35968 5/20 0.41
BRAF P15056 4/20 0.41
GSK3B P49841 2/20 0.41
GSK3A P49840 1/20 0.41
IGF1R P08069 2/20 0.40

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
SCHEMBL6175913 0.87 IGF1R (0.54) IGF1R
SCHEMBL6172735 0.85 IGF1R (0.42) SLC5A1KDRIGF1R
SCHEMBL6173624 0.84 IGF1R (0.42) KDRIGF1R
SCHEMBL6172079 0.84 IGF1R (0.47) IGF1R
SCHEMBL6175032 0.83 MAPK1 (0.43) BRAFGSK3BIGF1R
SCHEMBL6174016 0.83 IGF1R (0.41) SLC5A1KDRIGF1R
SCHEMBL6174271 0.83 LMNA (0.43) IGF1R
SCHEMBL6173728 0.83 MEN1 (0.47) KDRBRAFIGF1R
SCHEMBL6171765 0.83 IGF1R (0.41) SLC5A1KDRIGF1R
SCHEMBL6177003 0.83 TDP1 (0.42) KDRBRAFGSK3BIGF1R

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