SCHEMBL22735743

SCHEMBL22735743

N#CC(c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1)N1CC(F)(F)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 15/20 0.33
▸ JAK1 P23458 10/20 0.33
▸ JAK3 P52333 4/20 0.32
▸ TYK2 P29597 2/20 0.32
▸ GRM4 Q14833 2/20 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
SCHEMBL29480519 1.00 JAK2 (0.33) JAK2JAK1JAK3TYK2GRM4
SCHEMBL29480635 0.86 ALDH1A1 (0.38) GRM4
SCHEMBL22736297 0.86 ALDH1A1 (0.38) GRM4
SCHEMBL29567573 0.85 JAK2 (0.34) JAK2JAK1GRM4
SCHEMBL22716894 0.85 JAK2 (0.34) JAK2JAK1GRM4
SCHEMBL29480594 0.84 GRM4 (0.35) JAK2JAK1JAK3TYK2GRM4
SCHEMBL22736083 0.84 GRM4 (0.35) JAK2JAK1JAK3TYK2GRM4
SCHEMBL29480633 0.80 JAK2 (0.34) JAK2JAK1JAK3TYK2GRM4
SCHEMBL22735736 0.80 JAK2 (0.34) JAK2JAK1JAK3TYK2GRM4
SCHEMBL29480524 0.80 JAK2 (0.33) JAK2JAK1JAK3TYK2GRM4

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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