SCHEMBL30007786

SCHEMBL30007786

C[C@H](Nc1cc(N2CC(N3CCOCC3)C2)cc(Nc2cnccn2)n1)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.59
JAK3 P52333 4/20 0.59
JAK1 P23458 1/20 0.59
TYK2 P29597 1/20 0.59
MAP3K12 Q12852 1/20 0.38
GPR55 Q9Y2T6 4/20 0.37
PLK1 P53350 1/20 0.36
VNN1 O95497 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
PRCP P42785 3/20 0.35
SOS1 Q07889 2/20 0.35
NTRK1 P04629 1/20 0.35
KCNH2 Q12809 2/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL12141023 1.00 JAK2 (0.59) JAK2JAK3JAK1TYK2MAP3K12
SCHEMBL30574675 0.91 JAK2 (0.61) JAK2JAK3JAK1TYK2GPR55
SCHEMBL30008119 0.90 JAK2 (0.66) JAK2JAK3JAK1TYK2GPR55
SCHEMBL12140806 0.90 JAK2 (0.66) JAK2JAK3JAK1TYK2GPR55
SCHEMBL1367166 0.89 JAK2 (0.59) JAK2JAK3JAK1TYK2GPR55
SCHEMBL1367167 0.89 JAK2 (0.59) JAK2JAK3JAK1TYK2GPR55
SCHEMBL12140599 0.87 JAK2 (0.51) JAK2JAK3JAK1TYK2MAP3K12
SCHEMBL1368552 0.85 JAK2 (0.64) JAK2JAK3JAK1TYK2GPR55
SCHEMBL1368556 0.85 JAK2 (0.64) JAK2JAK3JAK1TYK2GPR55
Hydrochloric Acid SCHEMBL1365579 0.84 JAK2 (0.62) JAK2JAK3JAK1TYK2GPR55

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023176972-A1 THERAPEUTIC AGENT FOR HIGH-RISK MYELOFIBROSIS 日本新薬株式会社 2023-09-21 WO claimed
WO-2023175932-A1 THERAPEUTIC AGENT FOR HIGH-RISK MYELOFIBROSIS 日本新薬株式会社 2023-09-21 WO claimed
WO-2022239068-A1 CYTOKINE STORM INHIBITOR 日本新薬株式会社 2022-11-17 WO claimed
WO-2023176972-A1 THERAPEUTIC AGENT FOR HIGH-RISK MYELOFIBROSIS 日本新薬株式会社 2023-09-21 WO disclosed
WO-2023175932-A1 THERAPEUTIC AGENT FOR HIGH-RISK MYELOFIBROSIS 日本新薬株式会社 2023-09-21 WO disclosed
WO-2022239068-A1 CYTOKINE STORM INHIBITOR 日本新薬株式会社 2022-11-17 WO disclosed