SCHEMBL29480740

SCHEMBL29480740

N#CC1CN(Cc2ccc(-n3cc(-c4ccnc(N)c4N)cn3)nc2)C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 2/20 0.34
▸ GRM4 Q14833 1/20 0.33
▸ RET P07949 7/20 0.32
▸ EGLN1 Q9GZT9 2/20 0.32
▸ BTK Q06187 3/20 0.31
▸ JAK1 P23458 2/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ LTA4H P09960 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.30
▸ GRM5 P41594 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
SCHEMBL31158291 0.87 TLR7 (0.32) TLR7GRM4EGLN1BTK
SCHEMBL22736015 0.81 JAK1 (0.34) TLR7GRM4RETEGLN1JAK1
SCHEMBL29480520 0.81 JAK1 (0.34) TLR7GRM4RETEGLN1JAK1
SCHEMBL29480746 0.81 EGLN1 (0.39) GRM4EGLN1GRM5
SCHEMBL22736270 0.81 EGLN1 (0.39) GRM4EGLN1GRM5
SCHEMBL22736529 0.79 PIK3CD (0.36) GRM4RETEGLN1JAK1JAK2
SCHEMBL22736320 0.69 GRM4 (0.32) GRM4EGLN1JAK1JAK2
SCHEMBL29567465 0.69 GRM4 (0.32) GRM4EGLN1JAK1JAK2
SCHEMBL22736126 0.68 EGLN1 (0.37) GRM4EGLN1GRM5
SCHEMBL29480720 0.68 EGLN1 (0.37) GRM4EGLN1GRM5

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-B Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2024-10-25 — — CN disclosed
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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