SCHEMBL22736183

SCHEMBL22736183

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 4/20 0.35
▸ HDAC4 P56524 1/20 0.34
▸ AURKA O14965 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ INCENP Q9NQS7 1/20 0.33
▸ TPX2 Q9ULW0 1/20 0.33
▸ JAK1 P23458 1/20 0.30
▸ GCK P35557 1/20 0.30
▸ GCKR Q14397 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
SCHEMBL29480474 1.00 GRM4 (0.35) GRM4HDAC4AURKAAURKBINCENP
SCHEMBL29480712 0.90 GRM4 (0.36) GRM4HDAC4AURKAAURKBINCENP
SCHEMBL22735728 0.90 GRM4 (0.36) GRM4HDAC4AURKAAURKBINCENP
SCHEMBL22735729 0.88 GRM4 (0.33) GRM4HDAC4AURKAAURKBINCENP
SCHEMBL29480488 0.88 GRM4 (0.33) GRM4HDAC4AURKAAURKBINCENP
SCHEMBL22736027 0.85 HDAC4 (0.34) GRM4HDAC4AURKAAURKBINCENP
SCHEMBL29480597 0.85 HDAC4 (0.34) GRM4HDAC4AURKAAURKBINCENP
SCHEMBL22736502 0.84 AURKA (0.33) GRM4HDAC4AURKAAURKBINCENP
SCHEMBL29480499 0.84 AURKA (0.33) GRM4HDAC4AURKAAURKBINCENP
SCHEMBL22735900 0.83 HDAC4 (0.33) GRM4HDAC4AURKAAURKBINCENP

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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