SCHEMBL30007713

SCHEMBL30007713

C[C@H](Nc1nc(Nc2cnccn2)cc(N2CC(C(F)(F)F)C2)n1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

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
PRCP P42785 1/20 0.42
NTRK1 P04629 6/20 0.42
KCNH2 Q12809 2/20 0.40
IDH1 O75874 3/20 0.38
MAPKAPK2 P49137 1/20 0.38
GPR55 Q9Y2T6 3/20 0.36
TACR1 P25103 1/20 0.36

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
SCHEMBL1365514 0.92 JAK2 (0.55) JAK2JAK3JAK1TYK2PRCP
SCHEMBL1366456 0.89 JAK2 (0.54) JAK2JAK3JAK1TYK2PRCP
SCHEMBL1366452 0.89 JAK2 (0.54) JAK2JAK3JAK1TYK2PRCP
SCHEMBL1367569 0.89 JAK2 (0.54) JAK2JAK3JAK1TYK2PRCP
SCHEMBL12140791 0.88 JAK2 (0.54) JAK2JAK3JAK1TYK2PRCP
Hydrochloric Acid SCHEMBL1368652 0.88 JAK2 (0.54) JAK2JAK3JAK1TYK2PRCP
Hydrochloric Acid SCHEMBL1368656 0.88 JAK2 (0.54) JAK2JAK3JAK1TYK2PRCP
SCHEMBL1367477 0.88 JAK2 (0.53) JAK2JAK3JAK1TYK2PRCP
SCHEMBL1367022 0.88 JAK2 (0.53) JAK2JAK3JAK1TYK2PRCP
SCHEMBL1367478 0.88 JAK2 (0.53) 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