SCHEMBL29480674

SCHEMBL29480674

CS(=O)(=O)N1CCC(C(=O)c2ccc(-n3cc(-c4ccnc5[nH]cnc45)cn3)nc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.41
▸ JAK1 P23458 5/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ DYRK3 O43781 1/20 0.37
▸ WNT1 P04628 1/20 0.37
▸ CLK1 P49759 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ CLK3 P49761 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ DYRK2 Q92630 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ DYRK4 Q9NR20 1/20 0.37
▸ DYRK1B Q9Y463 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP11B2 P19099 1/20 0.34
▸ CCNT1 O60563 2/20 0.34
▸ CDK9 P50750 2/20 0.34

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
SCHEMBL22736025 0.83 NPSR1 (0.38) JAK2JAK1DYRK3WNT1CLK1
SCHEMBL29480547 0.83 JAK2 (0.39) JAK2JAK1JAK3CYP11B2CCNT1
SCHEMBL29480648 0.79 NPSR1 (0.35) JAK2JAK1DYRK3WNT1CLK1
SCHEMBL29567469 0.76 GCG (0.39) JAK2JAK3
SCHEMBL22716885 0.76 GCG (0.39) JAK2JAK3
SCHEMBL29480544 0.76 JAK2 (0.39) JAK2JAK1JAK3CCNT1CDK9
SCHEMBL22736532 0.76 JAK2 (0.35) JAK2JAK1JAK3CCNT1CDK9
SCHEMBL29480536 0.75 GRM4 (0.35) JAK2
SCHEMBL22736230 0.74 GRM4 (0.38) JAK2JAK1JAK3
SCHEMBL22736278 0.74 GRM4 (0.35) JAK2JAK1JAK3

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
EP-3976612-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD (IN) 2022-04-06 — — EP disclosed
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