SCHEMBL30007484

SCHEMBL30007484

C[C@H](Nc1nc(Nc2cnccn2)cc(N2CCC(CO)CC2)n1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.53
JAK3 P52333 2/20 0.53
JAK1 P23458 1/20 0.53
TYK2 P29597 1/20 0.53
CHEK1 O14757 1/20 0.44
CHEK2 O96017 1/20 0.44
NTRK1 P04629 5/20 0.43
KCNH2 Q12809 2/20 0.42
EGFR P00533 1/20 0.39
PRCP P42785 1/20 0.39
PDPK1 O15530 1/20 0.39
ADORA2A P29274 2/20 0.38
PDE10A Q9Y233 2/20 0.38
LCK P06239 1/20 0.38
IGF1R P08069 1/20 0.38

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
SCHEMBL1368417 0.91 JAK2 (0.52) JAK2JAK3JAK1TYK2NTRK1
SCHEMBL1368415 0.91 JAK2 (0.52) JAK2JAK3JAK1TYK2NTRK1
SCHEMBL1368007 0.91 JAK2 (0.55) JAK2JAK3JAK1TYK2CHEK1
SCHEMBL1368012 0.91 JAK2 (0.55) JAK2JAK3JAK1TYK2CHEK1
Hydrochloric Acid SCHEMBL1368478 0.90 JAK2 (0.54) JAK2JAK3JAK1TYK2CHEK1
Hydrochloric Acid SCHEMBL1368475 0.90 JAK2 (0.54) JAK2JAK3JAK1TYK2CHEK1
SCHEMBL12140800 0.88 JAK2 (0.59) JAK2JAK3JAK1TYK2NTRK1
SCHEMBL1366692 0.88 JAK2 (0.59) JAK2JAK3JAK1TYK2NTRK1
SCHEMBL1365720 0.87 JAK2 (0.52) JAK2JAK3JAK1TYK2NTRK1
SCHEMBL1365716 0.87 JAK2 (0.52) JAK2JAK3JAK1TYK2NTRK1

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