SCHEMBL18398569

SCHEMBL18398569

CCc1ccnc(F)c1N(C)c1cc2c(ncn2C)c(N=C(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.34
▸ JAK1 P23458 3/20 0.34
▸ TYK2 P29597 3/20 0.34
▸ JAK3 P52333 3/20 0.34
▸ MAPK14 Q16539 1/20 0.30

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
SCHEMBL18398449 0.89 JAK2 (0.38) JAK2JAK1TYK2JAK3MAPK14
SCHEMBL18398293 0.87 — —
SCHEMBL18398527 0.86 JAK2 (0.40) JAK2JAK1TYK2JAK3
SCHEMBL18398505 0.86 JAK2 (0.37) JAK2JAK1TYK2JAK3MAPK14
SCHEMBL18398273 0.86 JAK2 (0.40) JAK2JAK1TYK2JAK3MAPK14
SCHEMBL18398642 0.84 JAK2 (0.53) JAK2JAK1TYK2JAK3MAPK14
SCHEMBL18398521 0.84 JAK2 (0.37) JAK2JAK1TYK2JAK3MAPK14
SCHEMBL18398570 0.84 JAK2 (0.41) JAK2JAK1TYK2JAK3MAPK14
SCHEMBL18398310 0.82 JAK2 (0.38) JAK2JAK1TYK2JAK3
SCHEMBL18398360 0.82 JAK2 (0.36) 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 2 patents. 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
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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