SCHEMBL29480615

SCHEMBL29480615

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 3/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ GCG P01275 3/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ 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
▸ MAPK1 P28482 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
SCHEMBL29480507 0.93 GCG (0.32) GRM4JAK1GCGJAK2GCGR
SCHEMBL29480456 0.86 GCG (0.33) GRM4JAK1GCGJAK2AURKA
SCHEMBL29480524 0.85 JAK2 (0.33) GRM4JAK1JAK2
SCHEMBL22716901 0.83 MAPK1 (0.33) GRM4JAK2EGLN1AURKAAURKB
SCHEMBL29568193 0.83 MAPK1 (0.33) GRM4JAK2EGLN1AURKAAURKB
SCHEMBL22735745 0.83 GRM4 (0.34) GRM4GCGJAK2EGLN1AURKA
SCHEMBL29567619 0.83 GRM4 (0.34) GRM4GCGJAK2EGLN1AURKA
SCHEMBL29480518 0.82 GRM4 (0.32) GRM4JAK1GCGJAK2EGLN1
SCHEMBL29480486 0.82 JAK2 (0.34) GRM4JAK1GCGJAK2GCGR
SCHEMBL29480579 0.82 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 — — CN claimed
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 — — CN disclosed
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