SCHEMBL22735736

SCHEMBL22735736

N#CC(c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.34
▸ GRM4 Q14833 2/20 0.33
▸ JAK1 P23458 3/20 0.33
▸ AURKA O14965 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ INCENP Q9NQS7 1/20 0.31
▸ TPX2 Q9ULW0 1/20 0.31
▸ JAK3 P52333 2/20 0.30
▸ TYK2 P29597 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
SCHEMBL29480633 1.00 JAK2 (0.34) JAK2GRM4JAK1AURKAAURKB
SCHEMBL22736154 0.89 GRM4 (0.41) JAK2GRM4JAK1AURKAAURKB
SCHEMBL29480544 0.87 JAK2 (0.39) JAK2JAK1JAK3TYK2
SCHEMBL22736238 0.86 GRM4 (0.35) JAK2GRM4AURKAAURKBINCENP
SCHEMBL29480484 0.86 GRM4 (0.35) JAK2GRM4AURKAAURKBINCENP
SCHEMBL29480594 0.85 GRM4 (0.35) JAK2GRM4JAK1AURKAAURKB
SCHEMBL22736083 0.85 GRM4 (0.35) JAK2GRM4JAK1AURKAAURKB
SCHEMBL29480524 0.81 JAK2 (0.33) JAK2GRM4JAK1JAK3TYK2
SCHEMBL22735896 0.81 MELK (0.36) GRM4AURKAAURKBINCENPTPX2
SCHEMBL22736297 0.80 ALDH1A1 (0.38) GRM4

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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