SCHEMBL30007709

SCHEMBL30007709

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

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.61
JAK3 P52333 4/20 0.61
JAK1 P23458 1/20 0.61
TYK2 P29597 1/20 0.61
PRCP P42785 1/20 0.41
GPR55 Q9Y2T6 8/20 0.39
MAPKAPK2 P49137 1/20 0.39
NTRK1 P04629 2/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
PLK1 P53350 1/20 0.35
MAPK14 Q16539 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
SCHEMBL1368556 0.89 JAK2 (0.64) JAK2JAK3JAK1TYK2PRCP
SCHEMBL1368552 0.89 JAK2 (0.64) JAK2JAK3JAK1TYK2PRCP
Hydrochloric Acid SCHEMBL1365582 0.88 JAK2 (0.62) JAK2JAK3JAK1TYK2PRCP
Hydrochloric Acid SCHEMBL1365579 0.88 JAK2 (0.62) JAK2JAK3JAK1TYK2PRCP
SCHEMBL30007713 0.85 JAK2 (0.53) JAK2JAK3JAK1TYK2PRCP
SCHEMBL30574675 0.85 JAK2 (0.61) JAK2JAK3JAK1TYK2PRCP
SCHEMBL1366352 0.85 JAK2 (0.66) JAK2JAK3JAK1TYK2GPR55
SCHEMBL30007730 0.85 JAK2 (0.66) JAK2JAK3JAK1TYK2GPR55
SCHEMBL1368060 0.84 JAK2 (0.61) JAK2JAK3JAK1TYK2PRCP
SCHEMBL1368065 0.84 JAK2 (0.61) JAK2JAK3JAK1TYK2PRCP

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