SCHEMBL18409345

SCHEMBL18409345

CCc1cc(F)ccc1N(C)c1cc2c(ncn2C)c(NC(=O)C2CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.50
▸ TYK2 P29597 4/20 0.50
▸ JAK1 P23458 3/20 0.50
▸ JAK3 P52333 3/20 0.50
▸ ABL1 P00519 11/20 0.38
▸ GSK3B P49841 2/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL18398368 0.88 JAK2 (0.45) JAK2TYK2JAK1JAK3ABL1
SCHEMBL18409158 0.87 TYK2 (0.58) JAK2TYK2JAK1JAK3ABL1
SCHEMBL18409324 0.87 JAK2 (0.59) JAK2TYK2JAK1JAK3ABL1
SCHEMBL18398230 0.84 TYK2 (0.56) JAK2TYK2JAK1JAK3ABL1
SCHEMBL18398433 0.84 GSK3B (0.43) JAK2TYK2JAK1JAK3GSK3B
SCHEMBL18398367 0.83 TYK2 (0.47) JAK2TYK2JAK1JAK3ABL1
SCHEMBL18409114 0.82 TYK2 (0.46) JAK2TYK2JAK1JAK3ABL1
SCHEMBL18398479 0.82 JAK2 (0.52) JAK2TYK2JAK1JAK3ABL1
SCHEMBL18398598 0.81 TYK2 (0.47) JAK2TYK2JAK1JAK3GSK3B
SCHEMBL18409104 0.81 JAK2 (0.43) JAK2TYK2JAK1JAK3ABL1

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
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