SCHEMBL7221069

SCHEMBL7221069

C=C1COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(N4C=NC=CC4)n3)[nH]2)OC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.40
MAPK13 O15264 10/20 0.40
MAPK12 P53778 10/20 0.40
MAPK11 Q15759 10/20 0.40
RAF1 P04049 1/20 0.35
MAPK9 P45984 1/20 0.35
CSNK1D P48730 1/20 0.34
JAK3 P52333 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
SCHEMBL5772516 0.84 MAPK13 (0.42) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5771075 0.83 MAPK13 (0.42) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7221066 0.81 MAPK13 (0.40) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5771151 0.81 MAPK13 (0.46) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770947 0.80 MAPK13 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771178 0.79 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5770752 0.78 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5772001 0.78 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5772757 0.78 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5766940 0.77 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11CSNK1D

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
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 US disclosed