SCHEMBL22736087

SCHEMBL22736087

N#CCc1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 8/20 0.39
▸ MELK Q14680 2/20 0.37
▸ FEN1 P39748 1/20 0.33
▸ JAK2 O60674 4/20 0.33
▸ BTK Q06187 1/20 0.33
▸ JAK1 P23458 3/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ HTR2B P41595 1/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32
▸ CTSC P53634 2/20 0.32
▸ CTSK P43235 1/20 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
SCHEMBL29480577 1.00 GRM4 (0.39) GRM4MELKFEN1JAK2BTK
SCHEMBL29480589 0.86 MELK (0.38) GRM4MELKKCNH2
SCHEMBL22736085 0.86 MELK (0.38) GRM4MELKKCNH2
SCHEMBL22736159 0.84 GRM4 (0.45) GRM4MELKJAK2JAK1JAK3
SCHEMBL22716872 0.82 GRM4 (0.44) GRM4MELKHTR2BMTNR1AKCNH2
SCHEMBL29480526 0.82 GRM4 (0.44) GRM4MELKHTR2BMTNR1AKCNH2
SCHEMBL29480566 0.81 GRM4 (0.39) GRM4MELKFEN1JAK2JAK1
SCHEMBL22736084 0.81 GRM4 (0.39) GRM4MELKFEN1JAK2JAK1
SCHEMBL22736010 0.78 KDM5A (0.38) GRM4JAK2JAK1JAK3TYK2
SCHEMBL22735993 0.76 EGLN1 (0.37) GRM4JAK2JAK1JAK3TYK2

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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