SCHEMBL30007104

SCHEMBL30007104

COC1(C(C)C)CN(c2cc(Nc3cnccn3)nc(N[C@@H](C)c3ccc(F)cc3)c2)C1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.60
JAK3 P52333 4/20 0.60
JAK1 P23458 1/20 0.60
TYK2 P29597 1/20 0.60
GPR55 Q9Y2T6 11/20 0.40
PLK1 P53350 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 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
SCHEMBL12140834 1.00 JAK2 (0.60) JAK2JAK3JAK1TYK2GPR55
Hydrochloric Acid SCHEMBL14954672 0.99 JAK2 (0.59) JAK2JAK3JAK1TYK2GPR55
SCHEMBL1366352 0.91 JAK2 (0.66) JAK2JAK3JAK1TYK2GPR55
SCHEMBL30007730 0.91 JAK2 (0.66) JAK2JAK3JAK1TYK2GPR55
SCHEMBL30007827 0.90 JAK2 (0.61) JAK2JAK3JAK1TYK2GPR55
SCHEMBL14954516 0.90 JAK2 (0.61) JAK2JAK3JAK1TYK2GPR55
Hydrochloric Acid SCHEMBL1368758 0.90 JAK2 (0.65) JAK2JAK3JAK1TYK2GPR55
Hydrochloric Acid SCHEMBL14954551 0.89 JAK2 (0.60) JAK2JAK3JAK1TYK2GPR55
SCHEMBL1366824 0.88 JAK2 (0.62) JAK2JAK3JAK1TYK2GPR55
SCHEMBL1366826 0.88 JAK2 (0.62) JAK2JAK3JAK1TYK2GPR55

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