SCHEMBL22736286

SCHEMBL22736286

OC(Cc1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 2/20 0.34
▸ JAK2 O60674 2/20 0.33
▸ JAK1 P23458 1/20 0.31
▸ PRKCE Q02156 1/20 0.31
▸ 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
SCHEMBL29567090 1.00 GRM4 (0.34) GRM4JAK2JAK1PRKCEEGLN1
SCHEMBL29567716 0.89 GRM4 (0.33) GRM4JAK2JAK1
SCHEMBL22736489 0.89 GRM4 (0.33) GRM4JAK2JAK1
SCHEMBL22736006 0.85 GRM4 (0.36) GRM4JAK2JAK1EGLN1
SCHEMBL29567447 0.85 GRM4 (0.36) GRM4JAK2JAK1EGLN1
SCHEMBL22736280 0.84 GRM4 (0.38) GRM4JAK2EGLN1
SCHEMBL29480555 0.84 GRM4 (0.38) GRM4JAK2EGLN1
SCHEMBL22736484 0.83 GRM4 (0.35) GRM4JAK2JAK1EGLN1
SCHEMBL29480552 0.83 GRM4 (0.35) GRM4JAK2JAK1EGLN1
SCHEMBL22736491 0.83 JAK2 (0.33) GRM4JAK2JAK1

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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