SCHEMBL12708331

SCHEMBL12708331

Bc1cnc(NC(=O)NC(C)C)cc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 3/20 0.43
ABL1 P00519 1/20 0.41
MAPK1 P28482 12/20 0.40
NNMT P40261 2/20 0.39
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37

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
SCHEMBL13419098 0.83 MAP4K1 (0.43) MAP4K1ABL1MAPK1NNMTAURKA
SCHEMBL12708357 0.81 MAPK1 (0.46) MAPK1
SCHEMBL13578554 0.78 EPHX2 (0.50) MAPK1NNMT
SCHEMBL12708366 0.77 ALDH1A1 (0.39) MAP4K1MAPK1
SCHEMBL1554212 0.71 RAB9A (0.46) MAP4K1MAPK1NNMT
SCHEMBL12708318 0.70 MAPK1 (0.45) MAPK1
SCHEMBL13101606 0.70 ABL1 (0.57) MAP4K1ABL1MAPK1
SCHEMBL12832808 0.69 EPHX2 (0.45) MAPK1
SCHEMBL25920210 0.67 L3MBTL1 (0.50) MAP4K1ABL1MAPK1
SCHEMBL5256669 0.66 RAB9A (0.57) MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102199-B1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2011-04-27 EP disclosed