SCHEMBL22735734

SCHEMBL22735734

N#CCC(c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 9/20 0.35
▸ JAK1 P23458 5/20 0.33
▸ JAK3 P52333 3/20 0.33
▸ TYK2 P29597 2/20 0.33
▸ 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
SCHEMBL29568493 1.00 JAK2 (0.35) JAK2JAK1JAK3TYK2GRM4
SCHEMBL29567181 0.91 JAK2 (0.36) JAK2JAK1JAK3TYK2GRM4
SCHEMBL22736248 0.91 JAK2 (0.36) JAK2JAK1JAK3TYK2GRM4
SCHEMBL22735745 0.88 GRM4 (0.34) JAK2GRM4
SCHEMBL29567619 0.88 GRM4 (0.34) JAK2GRM4
SCHEMBL29567676 0.86 GRM4 (0.33) JAK2JAK1GRM4
SCHEMBL22716928 0.86 GRM4 (0.33) JAK2JAK1GRM4
SCHEMBL22736243 0.85 JAK2 (0.34) JAK2JAK1JAK3TYK2GRM4
SCHEMBL29480616 0.85 JAK2 (0.34) JAK2JAK1JAK3TYK2GRM4
SCHEMBL22716901 0.85 MAPK1 (0.33) JAK2GRM4

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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