SCHEMBL22736487

SCHEMBL22736487

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.33
▸ GRM4 Q14833 2/20 0.32
▸ GCG P01275 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.30
▸ AURKA O14965 1/20 0.30
▸ AURKB Q96GD4 1/20 0.30
▸ INCENP Q9NQS7 1/20 0.30
▸ TPX2 Q9ULW0 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL29567598 1.00 JAK2 (0.33) JAK2GRM4GCGEGLN1AURKA
SCHEMBL22735745 0.89 GRM4 (0.34) JAK2GRM4GCGEGLN1AURKA
SCHEMBL29567619 0.89 GRM4 (0.34) JAK2GRM4GCGEGLN1AURKA
SCHEMBL22716928 0.88 GRM4 (0.33) JAK2GRM4GCGMAPK1
SCHEMBL29567676 0.88 GRM4 (0.33) JAK2GRM4GCGMAPK1
SCHEMBL22736480 0.87 JAK2 (0.34) JAK2GRM4GCGEGLN1
SCHEMBL29567482 0.87 JAK2 (0.34) JAK2GRM4GCGEGLN1
SCHEMBL22736497 0.87 JAK2 (0.34) JAK2GRM4GCGEGLN1
SCHEMBL22736494 0.87 JAK2 (0.34) JAK2GRM4GCGEGLN1
SCHEMBL29480601 0.87 JAK2 (0.34) JAK2GRM4GCGEGLN1

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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