SCHEMBL22735996

SCHEMBL22735996

CS(=O)(=O)NC(c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.32
▸ GRM4 Q14833 3/20 0.32
▸ JAK1 P23458 2/20 0.32
▸ MGAT2 Q10469 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ ALOX5AP P20292 2/20 0.30
▸ FEN1 P39748 2/20 0.30
▸ EGLN1 Q9GZT9 1/20 0.30
▸ AURKA O14965 1/20 0.30
▸ AURKB Q96GD4 1/20 0.30
▸ INCENP Q9NQS7 1/20 0.30
▸ TPX2 Q9ULW0 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
SCHEMBL22736174 0.85 JAK2 (0.33) JAK2GRM4JAK1JAK3
SCHEMBL29567114 0.85 JAK2 (0.33) JAK2GRM4JAK1JAK3
SCHEMBL29480721 0.84 GRM4 (0.38) JAK2GRM4JAK1JAK3EGLN1
SCHEMBL22736230 0.84 GRM4 (0.38) JAK2GRM4JAK1JAK3EGLN1
SCHEMBL29480745 0.84 JAK2 (0.32) JAK2JAK1JAK3
SCHEMBL22735791 0.84 JAK2 (0.33) JAK2GRM4JAK1JAK3
SCHEMBL29568285 0.84 JAK2 (0.33) JAK2GRM4JAK1JAK3
SCHEMBL22736486 0.84 JAK2 (0.33) JAK2GRM4JAK1JAK3
SCHEMBL29568051 0.84 JAK2 (0.33) JAK2GRM4JAK1JAK3
SCHEMBL29480694 0.84 JAK2 (0.33) JAK2GRM4JAK1JAK3

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-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 — — WO disclosed
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