SCHEMBL19494366

SCHEMBL19494366

NC(=O)c1cc([S+]([O-])c2ccc(F)cc2)sc1Nc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 16/20 0.55
▸ JAK3 P52333 3/20 0.55
▸ CDK5 Q00535 3/20 0.42
▸ CDK5R1 Q15078 3/20 0.42
▸ JAK1 P23458 2/20 0.39
▸ TYK2 P29597 2/20 0.39
▸ NTRK1 P04629 1/20 0.39

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
SCHEMBL19494932 0.79 IKBKB (0.43) JAK2
SCHEMBL16338034 0.78 CFTR (0.58) JAK2JAK3CDK5CDK5R1
SCHEMBL16263935 0.76 JAK2 (0.42) JAK2
SCHEMBL3512122 0.72 JAK2 (1.00) JAK2JAK3
SCHEMBL19494741 0.71 CFTR (0.49) JAK2
SCHEMBL19494397 0.71 CFTR (0.44) JAK2
SCHEMBL19494662 0.71 TYK2 (0.44) JAK2TYK2
SCHEMBL19494315 0.69 NPC1 (0.43) JAK2JAK3
SCHEMBL3510016 0.67 JAK2 (0.64) JAK2JAK3
SCHEMBL19494743 0.67 CHEK1 (0.39) JAK2

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
EP-2994463-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GALAPAGOS NV (BE) 2017-10-25 — — EP disclosed
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