SCHEMBL18409287

SCHEMBL18409287

CCc1cc(C#N)ncc1Nc1cc2c(ncn2C)c(NC(=O)C2CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 11/20 0.47
▸ JAK1 P23458 11/20 0.47
▸ TYK2 P29597 11/20 0.47
▸ JAK3 P52333 11/20 0.47
▸ SIK1 P57059 1/20 0.37
▸ SIK2 Q9H0K1 1/20 0.37
▸ SIK3 Q9Y2K2 1/20 0.37
▸ TBK1 Q9UHD2 5/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ MAP4K1 Q92918 2/20 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
SCHEMBL18408890 0.89 TYK2 (0.43) JAK2JAK1TYK2JAK3ABL1
SCHEMBL18398581 0.86 JAK2 (0.53) JAK2JAK1TYK2JAK3TBK1
SCHEMBL18409202 0.85 TYK2 (0.53) JAK2JAK1TYK2JAK3TBK1
SCHEMBL18398479 0.83 JAK2 (0.52) JAK2JAK1TYK2JAK3SIK1
SCHEMBL18398314 0.82 JAK2 (0.41) JAK2JAK1TYK2JAK3
SCHEMBL18409114 0.81 TYK2 (0.46) JAK2JAK1TYK2JAK3ABL1
SCHEMBL18409413 0.80 JAK2 (0.54) JAK2JAK1TYK2JAK3
SCHEMBL18398577 0.80 JAK2 (0.48) JAK2JAK1TYK2JAK3
SCHEMBL18409285 0.80 TYK2 (0.62) JAK2JAK1TYK2JAK3TBK1
SCHEMBL18398248 0.79 JAK2 (0.41) JAK2JAK1TYK2JAK3SIK1

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
WO-2017012647-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2017-01-26 — — WO disclosed
Send feedback