SCHEMBL29480734

SCHEMBL29480734

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.34
▸ GCG P01275 8/20 0.33
▸ JAK1 P23458 3/20 0.32
▸ GCGR P47871 3/20 0.32
▸ GRM4 Q14833 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL22716928 0.87 GRM4 (0.33) JAK2GCGJAK1GCGRGRM4
SCHEMBL29567676 0.87 GRM4 (0.33) JAK2GCGJAK1GCGRGRM4
SCHEMBL29567075 0.86 PDK2 (0.35) JAK2GCGJAK1GCGREGLN1
SCHEMBL22736259 0.86 PDK2 (0.35) JAK2GCGJAK1GCGREGLN1
SCHEMBL22736500 0.86 JAK2 (0.32) JAK2GCGGRM4
SCHEMBL29480672 0.85 JAK2 (0.34) JAK2GCG
SCHEMBL22735800 0.85 GRM4 (0.32) JAK2GCGGCGRGRM4
SCHEMBL29480663 0.85 GRM4 (0.32) JAK2GCGGCGRGRM4
SCHEMBL22736487 0.85 JAK2 (0.33) JAK2GCGGRM4EGLN1
SCHEMBL29567598 0.85 JAK2 (0.33) JAK2GCGGRM4EGLN1

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