SCHEMBL24200804

SCHEMBL24200804

N#Cc1cn2c(n1)CC(Nc1c(C#N)cnc3c1ccn3[S+]([O-])c1ccccc1)CC2

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 2/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ PDE10A Q9Y233 2/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ DYRK1B Q9Y463 1/20 0.30
▸ SRC P12931 1/20 0.30

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
SCHEMBL22418545 0.81 CDK2 (0.36) JAK3JAK2PDE10A
SCHEMBL22418617 0.75 JAK2 (0.54) JAK3JAK2
SCHEMBL24200601 0.70 EGFR (0.34) SRC
SCHEMBL26246774 0.69 KDM4E (0.36) JAK3JAK2SRC
SCHEMBL24200698 0.68 ALDH1A1 (0.36) —
SCHEMBL22436175 0.62 JAK1 (0.39) JAK3JAK2SRC
SCHEMBL24509511 0.58 HTR6 (0.45) —
SCHEMBL24509488 0.57 HTR6 (0.46) —
SCHEMBL29713733 0.57 HTR6 (0.46) —
SCHEMBL22436161 0.57 HRH2 (0.35) —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3939979-A1 JAK KINASE INHIBITOR, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF IN FIELD OF MEDICINE Shanghai Synergy Pharmaceutical Sciences Co., Ltd (CN) 2022-01-19 — — EP disclosed
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