SCHEMBL22736084

SCHEMBL22736084

N#CCc1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 3/20 0.39
▸ MELK Q14680 2/20 0.36
▸ JAK2 O60674 10/20 0.33
▸ TYK2 P29597 4/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ JAK1 P23458 6/20 0.33
▸ JAK3 P52333 3/20 0.33
▸ DYRK1B Q9Y463 2/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ PAK1 Q13153 1/20 0.31

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
SCHEMBL29480566 1.00 GRM4 (0.39) GRM4MELKJAK2TYK2FEN1
SCHEMBL22736010 0.84 KDM5A (0.38) GRM4JAK2TYK2JAK1JAK3
SCHEMBL22736159 0.84 GRM4 (0.45) GRM4MELKJAK2TYK2JAK1
SCHEMBL22716872 0.82 GRM4 (0.44) GRM4MELK
SCHEMBL29480526 0.82 GRM4 (0.44) GRM4MELK
SCHEMBL29480471 0.82 EGLN1 (0.37) GRM4JAK2TYK2JAK1JAK3
SCHEMBL22735993 0.82 EGLN1 (0.37) GRM4JAK2TYK2JAK1JAK3
Hydrochloric Acid SCHEMBL29480556 0.81 EGLN1 (0.36) GRM4JAK2TYK2JAK1JAK3
SCHEMBL22736087 0.81 GRM4 (0.39) GRM4MELKJAK2TYK2FEN1
SCHEMBL29480577 0.81 GRM4 (0.39) GRM4MELKJAK2TYK2FEN1

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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