SCHEMBL22449882

SCHEMBL22449882

C[C@H](NC(=O)c1cc(F)c(N2CC(CC#N)(n3cc(-c4ncnc5[nH]ccc45)cn3)C2)cc1N)C(F)(F)F

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 18/20 0.80
▸ JAK1 P23458 4/20 0.61
▸ AXL P30530 2/20 0.61
▸ PIK3CD O00329 1/20 0.60
▸ TYRO3 Q06418 1/20 0.60
▸ MERTK Q12866 1/20 0.60

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
SCHEMBL21412834 0.95 JAK2 (0.84) JAK2JAK1AXLPIK3CDTYRO3
SCHEMBL14377767 0.95 JAK2 (0.84) JAK2JAK1AXLPIK3CDTYRO3
SCHEMBL29379586 0.95 JAK2 (0.84) JAK2JAK1AXLPIK3CDTYRO3
SCHEMBL14376756 0.95 JAK2 (0.84) JAK2JAK1AXLPIK3CDTYRO3
SCHEMBL16532750 0.93 JAK2 (0.80) JAK2JAK1AXLPIK3CDTYRO3
SCHEMBL22622522 0.93 JAK2 (0.79) JAK2JAK1AXLPIK3CDTYRO3
SCHEMBL22449884 0.93 JAK2 (0.79) JAK2JAK1AXLPIK3CDTYRO3
SCHEMBL14377572 0.90 JAK2 (0.82) JAK2JAK1AXL
SCHEMBL21799144 0.90 JAK2 (0.82) JAK2JAK1AXL
SCHEMBL14377481 0.90 JAK2 (0.82) JAK2JAK1AXL

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-3129021-B1 TREATMENT OF B-CELL MALIGNANCIES BY A COMBINATION JAK AND PI3K INHIBITOR INCYTE CORP (US) 2020-09-23 — — EP disclosed
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