SCHEMBL30007953

SCHEMBL30007953

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

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.69
JAK3 P52333 2/20 0.69
JAK1 P23458 1/20 0.69
TYK2 P29597 1/20 0.69
MAPKAPK2 P49137 2/20 0.49
GPR55 Q9Y2T6 8/20 0.48
HTR7 P34969 3/20 0.44
ADRA1D P25100 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
CAMK2D Q13557 1/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
MAPK14 Q16539 3/20 0.42

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
SCHEMBL12140810 1.00 JAK2 (0.69) JAK2JAK3JAK1TYK2MAPKAPK2
SCHEMBL12140785 0.94 JAK2 (0.62) JAK2JAK3JAK1TYK2MAPKAPK2
SCHEMBL30574678 0.94 JAK2 (0.62) JAK2JAK3JAK1TYK2MAPKAPK2
SCHEMBL12140822 0.93 JAK2 (0.64) JAK2JAK3JAK1TYK2MAPKAPK2
SCHEMBL30574673 0.93 JAK2 (0.64) JAK2JAK3JAK1TYK2MAPKAPK2
SCHEMBL12141008 0.91 JAK2 (0.69) JAK2JAK3JAK1TYK2MAPKAPK2
SCHEMBL30007674 0.91 JAK2 (0.69) JAK2JAK3JAK1TYK2MAPKAPK2
SCHEMBL14954395 0.89 JAK2 (0.68) JAK2JAK3JAK1TYK2MAPKAPK2
SCHEMBL1365499 0.89 JAK2 (0.77) JAK2JAK3JAK1TYK2MAPKAPK2
Hydrochloric Acid SCHEMBL14954444 0.89 JAK2 (0.68) JAK2JAK3JAK1TYK2MAPKAPK2

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