SCHEMBL29480532

SCHEMBL29480532

N#CCNC(=O)c1cccnc1-n1cc(-c2ccnc3[nH]cnc23)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.41
▸ CAPN1 P07384 3/20 0.41
▸ CTSB P07858 1/20 0.38
▸ CHIA Q9BZP6 1/20 0.36
▸ GRM4 Q14833 2/20 0.34
▸ KDM4A O75164 4/20 0.34
▸ KDM4B O94953 4/20 0.34
▸ KDM5C P41229 4/20 0.34
▸ KDM5B Q9UGL1 4/20 0.34
▸ JAK2 O60674 7/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ TYK2 P29597 1/20 0.33

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
SCHEMBL22716885 0.83 GCG (0.39) EGLN1JAK2JAK3
SCHEMBL29567469 0.83 GCG (0.39) EGLN1JAK2JAK3
SCHEMBL22736178 0.83 JAK2 (0.36) EGLN1GRM4JAK2JAK1JAK3
SCHEMBL29480593 0.79 GRM4 (0.40) GRM4KDM4AKDM4BKDM5CKDM5B
SCHEMBL22736157 0.72 JAK3 (0.42) GRM4JAK2JAK1JAK3TYK2
SCHEMBL22736159 0.71 GRM4 (0.45) GRM4JAK2JAK1JAK3TYK2
SCHEMBL29567533 0.71 EGLN1 (0.36) EGLN1GRM4JAK2JAK1JAK3
SCHEMBL22716872 0.70 GRM4 (0.44) GRM4
SCHEMBL22736014 0.70 GRM4 (0.38) GRM4JAK2JAK1JAK3TYK2
SCHEMBL29480627 0.70 GRM4 (0.38) GRM4JAK2JAK1JAK3TYK2

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 4 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 claimed
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-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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