SCHEMBL22736308

SCHEMBL22736308

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 4/20 0.34
▸ GCG P01275 3/20 0.33
▸ JAK2 O60674 2/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.31
▸ AURKA O14965 1/20 0.30
▸ AURKB Q96GD4 1/20 0.30
▸ INCENP Q9NQS7 1/20 0.30
▸ TPX2 Q9ULW0 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ GCGR P47871 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
SCHEMBL29567630 1.00 GRM4 (0.34) GRM4GCGJAK2EGLN1AURKA
SCHEMBL22736484 0.87 GRM4 (0.35) GRM4GCGJAK2EGLN1AURKA
SCHEMBL29480552 0.87 GRM4 (0.35) GRM4GCGJAK2EGLN1AURKA
SCHEMBL29480518 0.86 GRM4 (0.32) GRM4GCGJAK2EGLN1AURKA
SCHEMBL22736487 0.85 JAK2 (0.33) GRM4GCGJAK2EGLN1AURKA
SCHEMBL29567598 0.85 JAK2 (0.33) GRM4GCGJAK2EGLN1AURKA
SCHEMBL22716928 0.85 GRM4 (0.33) GRM4GCGJAK2JAK1GCGR
SCHEMBL29567676 0.85 GRM4 (0.33) GRM4GCGJAK2JAK1GCGR
SCHEMBL22735745 0.84 GRM4 (0.34) GRM4GCGJAK2EGLN1AURKA
SCHEMBL29567619 0.84 GRM4 (0.34) GRM4GCGJAK2EGLN1AURKA

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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