SCHEMBL6173435

SCHEMBL6173435

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.45
ITGAL P20701 1/20 0.40
AR P10275 5/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
SCN9A Q15858 1/20 0.36
F11 P03951 1/20 0.35
TYMS P04818 1/20 0.35
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
MBOAT4 Q96T53 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 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
SCHEMBL6175657 0.88 IGF1R (0.45) IGF1RITGALARPOLBL3MBTL1
SCHEMBL6176754 0.88 ITGAL (0.44) IGF1RITGALARPOLBL3MBTL1
SCHEMBL6172079 0.86 IGF1R (0.47) IGF1RITGALARPOLBL3MBTL1
SCHEMBL6175573 0.86 ITGAL (0.39) IGF1RITGALARPOLBL3MBTL1
SCHEMBL6171047 0.86 IGF1R (0.48) IGF1RITGALARPOLBL3MBTL1
SCHEMBL6171575 0.86 IGF1R (0.40) IGF1RITGALARPOLBL3MBTL1
SCHEMBL6175755 0.85 ITGAL (0.38) IGF1RITGALARPOLBL3MBTL1
SCHEMBL6177034 0.85 IGF1R (0.40) IGF1RITGALARPOLBL3MBTL1
SCHEMBL6174845 0.85 NTRK1 (0.38) ITGALARPOLBL3MBTL1NTRK1
SCHEMBL6171611 0.85 IGF1R (0.38) IGF1RITGALARPOLBL3MBTL1

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