SCHEMBL27520685

SCHEMBL27520685

CC1(CNC(=O)CCCN)COC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)OC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.59
MAPK13 O15264 12/20 0.59
MAPK12 P53778 12/20 0.59
MAPK11 Q15759 12/20 0.59
CSNK1A1 P48729 1/20 0.44
CSNK1D P48730 1/20 0.44
RPS6KA3 P51812 1/20 0.44
RAF1 P04049 2/20 0.43
MAPK9 P45984 2/20 0.43

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
SCHEMBL5770665 0.92 MAPK13 (0.61) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL27521516 0.89 MAPK13 (0.63) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL5769188 0.89 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL5770702 0.87 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL5771863 0.86 MAPK13 (0.63) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL5770926 0.85 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771126 0.85 MAPK13 (0.62) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL5770136 0.83 MAPK13 (0.74) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL5772878 0.83 MAPK13 (0.66) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL6809860 0.83 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11CSNK1A1

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
CN-100443481-C Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2008-12-17 CN disclosed
CN-1273584-A Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2000-11-15 CN disclosed