SCHEMBL22736284

SCHEMBL22736284

FC(F)(F)[C@@H](c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1)C1COC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 2/20 0.34
▸ JAK2 O60674 2/20 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

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
SCHEMBL29480655 1.00 GRM4 (0.34) GRM4JAK2AURKAAURKBINCENP
SCHEMBL22736287 1.00 GRM4 (0.34) GRM4JAK2AURKAAURKBINCENP
SCHEMBL22736176 1.00 GRM4 (0.34) GRM4JAK2AURKAAURKBINCENP
SCHEMBL29567473 1.00 GRM4 (0.34) GRM4JAK2AURKAAURKBINCENP
SCHEMBL29567071 1.00 GRM4 (0.34) GRM4JAK2AURKAAURKBINCENP
SCHEMBL22736484 0.82 GRM4 (0.35) GRM4JAK2AURKAAURKBINCENP
SCHEMBL29567952 0.82 GRM4 (0.35) GRM4JAK2AURKAAURKBINCENP
SCHEMBL22735737 0.82 GRM4 (0.35) GRM4JAK2AURKAAURKBINCENP
SCHEMBL29480552 0.82 GRM4 (0.35) GRM4JAK2AURKAAURKBINCENP
SCHEMBL22736069 0.82 GRM4 (0.33) 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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