SCHEMBL22736015

SCHEMBL22736015

N#CC1CN(Cc2ccc(-n3cc(-c4ccnc5[nH]cnc45)cn3)nc2)C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 4/20 0.34
▸ GRM4 Q14833 2/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ RET P07949 5/20 0.32
▸ JAK2 O60674 3/20 0.32
▸ KDM4A O75164 2/20 0.31
▸ KDM4B O94953 2/20 0.31
▸ KDM5C P41229 2/20 0.31
▸ KDM5B Q9UGL1 2/20 0.31
▸ JAK3 P52333 2/20 0.31
▸ TYK2 P29597 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
▸ TLR7 Q9NYK1 1/20 0.30
▸ EGLN1 Q9GZT9 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
SCHEMBL29480520 1.00 JAK1 (0.34) JAK1GRM4LRRK2RETJAK2
SCHEMBL22735993 0.83 EGLN1 (0.37) JAK1GRM4JAK2JAK3TYK2
SCHEMBL29480471 0.83 EGLN1 (0.37) JAK1GRM4JAK2JAK3TYK2
SCHEMBL29567173 0.83 LRRK2 (0.43) GRM4LRRK2KDM4AKDM4BKDM5C
SCHEMBL29480516 0.83 KDM4A (0.36) GRM4LRRK2KDM4AKDM4BKDM5C
SCHEMBL22736007 0.83 LRRK2 (0.43) GRM4LRRK2KDM4AKDM4BKDM5C
Hydrochloric Acid SCHEMBL29480556 0.82 EGLN1 (0.36) JAK1GRM4JAK2JAK3TYK2
SCHEMBL29480740 0.81 TLR7 (0.34) JAK1GRM4RETJAK2TYK2
SCHEMBL22736182 0.81 JAK2 (0.32) JAK1JAK2JAK3TYK2
SCHEMBL29568119 0.81 JAK2 (0.35) JAK1GRM4JAK2KDM4AKDM4B

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 3 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
WO-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 — — WO disclosed
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