SCHEMBL25399255

SCHEMBL25399255

CC(=O)N[C@@H]1CCN(c2cc(Nc3cnccn3)nc(NC(C)c3ccc(F)cc3)n2)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.49
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
SYK P43405 2/20 0.45
ADORA2B P29275 5/20 0.43
ADORA2A P29274 2/20 0.43
ADORA3 P0DMS8 1/20 0.42
BPTF Q12830 1/20 0.41
SMPD3 Q9NY59 1/20 0.41
PRCP P42785 1/20 0.40
NTRK1 P04629 1/20 0.40
ACACB O00763 4/20 0.39
KCNH2 Q12809 1/20 0.38
GRIA1 P42261 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
SCHEMBL1368525 1.00 JAK3 (0.49) JAK3JAK2JAK1TYK2SYK
SCHEMBL1368531 1.00 JAK3 (0.49) JAK3JAK2JAK1TYK2SYK
SCHEMBL1368703 1.00 JAK3 (0.49) JAK3JAK2JAK1TYK2SYK
SCHEMBL25396432 1.00 JAK3 (0.49) JAK3JAK2JAK1TYK2SYK
Hydrochloric Acid SCHEMBL1367825 0.99 JAK3 (0.49) JAK3JAK2JAK1TYK2SYK
Hydrochloric Acid SCHEMBL1368941 0.99 JAK3 (0.49) JAK3JAK2JAK1TYK2SYK
Hydrochloric Acid SCHEMBL1367827 0.99 JAK3 (0.49) JAK3JAK2JAK1TYK2SYK
Fumaric Acid SCHEMBL1368558 0.96 JAK3 (0.46) JAK3JAK2JAK1TYK2SYK
Fumaric Acid SCHEMBL1368560 0.96 JAK3 (0.46) JAK3JAK2JAK1TYK2SYK
Maleic Acid SCHEMBL1368553 0.96 JAK3 (0.46) JAK3JAK2JAK1TYK2SYK

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 4 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-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