SCHEMBL18409184

SCHEMBL18409184

CCc1cc(F)ccc1Oc1cc2c(ncn2C)c(NC(=O)[C@H]2C[C@H]2F)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ ABL1 P00519 5/20 0.35
▸ P2RY1 P47900 1/20 0.35
▸ LRRK2 Q5S007 3/20 0.35
▸ MAP4K1 Q92918 6/20 0.35
▸ LMNA P02545 1/20 0.34
▸ SLC22A12 Q96S37 1/20 0.33
▸ BRD4 O60885 2/20 0.33

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
SCHEMBL18409196 0.89 MAP4K1 (0.36) JAK2JAK1TYK2JAK3ABL1
SCHEMBL18409197 0.88 TYK2 (0.43) JAK2JAK1TYK2JAK3ABL1
SCHEMBL18409435 0.82 JAK2 (0.37) JAK2JAK1TYK2JAK3ABL1
SCHEMBL18409455 0.80 JAK2 (0.36) JAK2JAK1TYK2JAK3ABL1
SCHEMBL18408927 0.79 TYK2 (0.50) JAK2JAK1TYK2JAK3ABL1
SCHEMBL18398366 0.76 LMNA (0.36) JAK2JAK1TYK2JAK3LMNA
SCHEMBL18409262 0.75 MAP4K1 (0.39) ABL1LRRK2MAP4K1
SCHEMBL18409251 0.75 MAP4K1 (0.39) ABL1LRRK2MAP4K1
SCHEMBL18409443 0.73 JAK2 (0.42) JAK2JAK1TYK2JAK3ABL1
SCHEMBL18409370 0.73 JAK2 (0.45) JAK2JAK1TYK2JAK3ABL1

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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