SCHEMBL22735739

SCHEMBL22735739

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 2/20 0.34
▸ GCG P01275 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ INCENP Q9NQS7 1/20 0.32
▸ TPX2 Q9ULW0 1/20 0.32
▸ JAK2 O60674 1/20 0.30
▸ EGLN1 Q9GZT9 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
SCHEMBL29480558 1.00 GRM4 (0.34) GRM4GCGAURKAAURKBINCENP
SCHEMBL29567952 0.85 GRM4 (0.35) GRM4AURKAAURKBINCENPTPX2
SCHEMBL22735737 0.85 GRM4 (0.35) GRM4AURKAAURKBINCENPTPX2
SCHEMBL29480552 0.85 GRM4 (0.35) GRM4GCGAURKAAURKBINCENP
SCHEMBL22736484 0.85 GRM4 (0.35) GRM4GCGAURKAAURKBINCENP
SCHEMBL22736011 0.85 GRM4 (0.35) GRM4AURKAAURKBINCENPTPX2
SCHEMBL29480656 0.85 GRM4 (0.35) GRM4AURKAAURKBINCENPTPX2
SCHEMBL22735745 0.85 GRM4 (0.34) GRM4GCGAURKAAURKBINCENP
SCHEMBL29567619 0.85 GRM4 (0.34) GRM4GCGAURKAAURKBINCENP
SCHEMBL29480579 0.84 GRM4 (0.34) GRM4GCGAURKAAURKBINCENP

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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