SCHEMBL18019646

SCHEMBL18019646

N#Cc1ccc(COc2ccc(-c3cccc4nc(NC=O)nn34)cc2)cn1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.72
JAK1 P23458 8/20 0.72
TYK2 P29597 3/20 0.72
JAK3 P52333 3/20 0.72
EGLN2 Q96KS0 1/20 0.47

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
SCHEMBL29464036 0.84 JAK2 (1.00) JAK2JAK1TYK2JAK3
SCHEMBL2237596 0.84 JAK2 (1.00) JAK2JAK1TYK2JAK3
SCHEMBL2185451 0.83 JAK1 (0.65) JAK2JAK1TYK2JAK3EGLN2
SCHEMBL29883411 0.78 JAK2 (0.62) JAK2JAK1TYK2JAK3EGLN2
Cyclopropane SCHEMBL15654165 0.73 TYK2 (0.64) JAK2JAK1TYK2JAK3
SCHEMBL7977778 0.73 JAK2 (0.64) JAK2JAK1TYK2JAK3EGLN2
Cyclopropane SCHEMBL15654069 0.72 JAK2 (0.61) JAK2JAK1TYK2JAK3EGLN2
Cyclopropane SCHEMBL15653676 0.72 JAK1 (0.61) JAK2JAK1TYK2JAK3
SCHEMBL2235843 0.72 TYK2 (0.81) JAK2JAK1TYK2JAK3
SCHEMBL2237985 0.71 JAK2 (0.79) JAK2JAK1TYK2JAK3

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-9415037-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2016-08-16 US disclosed