SCHEMBL22735737

SCHEMBL22735737

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 3/20 0.35
▸ AURKA O14965 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ INCENP Q9NQS7 1/20 0.31
▸ TPX2 Q9ULW0 1/20 0.31
▸ JAK2 O60674 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
SCHEMBL29567952 1.00 GRM4 (0.35) GRM4AURKAAURKBINCENPTPX2
SCHEMBL29480552 0.88 GRM4 (0.35) GRM4AURKAAURKBINCENPTPX2
SCHEMBL22736484 0.88 GRM4 (0.35) GRM4AURKAAURKBINCENPTPX2
SCHEMBL22735739 0.85 GRM4 (0.34) GRM4AURKAAURKBINCENPTPX2
SCHEMBL29480656 0.85 GRM4 (0.35) GRM4AURKAAURKBINCENPTPX2
SCHEMBL22735745 0.85 GRM4 (0.34) GRM4AURKAAURKBINCENPTPX2
SCHEMBL29480558 0.85 GRM4 (0.34) GRM4AURKAAURKBINCENPTPX2
SCHEMBL22736011 0.85 GRM4 (0.35) GRM4AURKAAURKBINCENPTPX2
SCHEMBL29567619 0.85 GRM4 (0.34) GRM4AURKAAURKBINCENPTPX2
SCHEMBL29480579 0.85 GRM4 (0.34) GRM4AURKAAURKBINCENPTPX2

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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