SCHEMBL22736482

SCHEMBL22736482

N#CC(C(=O)NCC(F)(F)F)c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.40
▸ JAK1 P23458 6/20 0.38
▸ JAK3 P52333 2/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.33
▸ TYK2 P29597 1/20 0.32
▸ RET P07949 2/20 0.31
▸ GCG P01275 2/20 0.31
▸ GCGR P47871 1/20 0.30
▸ GRM4 Q14833 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
SCHEMBL29480578 1.00 JAK2 (0.40) JAK2JAK1JAK3EGLN1TYK2
SCHEMBL29480553 0.89 JAK1 (0.40) JAK2JAK1JAK3EGLN1GCG
SCHEMBL22736197 0.89 JAK1 (0.40) JAK2JAK1JAK3EGLN1GCG
SCHEMBL22736198 0.85 JAK1 (0.40) JAK2JAK1JAK3TYK2RET
SCHEMBL29480595 0.85 JAK1 (0.40) JAK2JAK1JAK3TYK2RET
SCHEMBL29480524 0.83 JAK2 (0.33) JAK2JAK1JAK3TYK2GRM4
SCHEMBL29480483 0.82 JAK2 (0.36) JAK2JAK1JAK3TYK2GRM4
SCHEMBL29480709 0.81 JAK2 (0.35) JAK2JAK1EGLN1GRM4
SCHEMBL29480539 0.80 GCG (0.34) JAK2JAK1JAK3EGLN1GCG
SCHEMBL22736083 0.80 GRM4 (0.35) JAK2JAK1JAK3EGLN1TYK2

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
Send feedback