SCHEMBL22736484

SCHEMBL22736484

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 3/20 0.35
▸ OGA O60502 1/20 0.35
▸ JAK2 O60674 2/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ INCENP Q9NQS7 1/20 0.31
▸ TPX2 Q9ULW0 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ GCG P01275 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
SCHEMBL29480552 1.00 GRM4 (0.35) GRM4OGAJAK2EGLN1AURKA
SCHEMBL29480518 0.89 GRM4 (0.32) GRM4JAK2EGLN1AURKAAURKB
SCHEMBL29480579 0.89 GRM4 (0.34) GRM4OGAJAK2EGLN1AURKA
SCHEMBL29567952 0.88 GRM4 (0.35) GRM4JAK2AURKAAURKBINCENP
SCHEMBL22736488 0.88 GRM4 (0.35) GRM4JAK2AURKAAURKBINCENP
SCHEMBL22735737 0.88 GRM4 (0.35) GRM4JAK2AURKAAURKBINCENP
SCHEMBL22736308 0.87 GRM4 (0.34) GRM4JAK2EGLN1AURKAAURKB
SCHEMBL29567630 0.87 GRM4 (0.34) GRM4JAK2EGLN1AURKAAURKB
SCHEMBL29480486 0.87 JAK2 (0.34) GRM4JAK2JAK1GCG
SCHEMBL22716928 0.86 GRM4 (0.33) GRM4JAK2JAK1GCG

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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