SCHEMBL18398441

SCHEMBL18398441

CCc1cncc(F)c1N(C)c1cc2c(ncn2C)c(N)n1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.43
▸ JAK1 P23458 6/20 0.43
▸ TYK2 P29597 6/20 0.43
▸ JAK3 P52333 6/20 0.43
▸ IKBKB O14920 1/20 0.32

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
SCHEMBL18398547 0.85 JAK2 (0.43) JAK2JAK1TYK2JAK3
SCHEMBL18398169 0.82 JAK2 (0.62) JAK2JAK1TYK2JAK3
SCHEMBL18398516 0.82 JAK2 (0.43) JAK2JAK1TYK2JAK3
SCHEMBL18409444 0.82 JAK2 (0.40) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL18409470 0.81 JAK2 (0.41) JAK2JAK1TYK2JAK3
SCHEMBL18398505 0.81 JAK2 (0.37) JAK2JAK1TYK2JAK3
SCHEMBL18398599 0.81 JAK2 (0.44) JAK2JAK1TYK2JAK3
SCHEMBL18398404 0.80 JAK2 (0.41) JAK2JAK1TYK2JAK3
SCHEMBL18398410 0.80 JAK2 (0.48) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL18398431 0.78 JAK2 (0.46) 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
Send feedback