SCHEMBL24310591

SCHEMBL24310591

CN(C)c1nc(NSc2cnn(C)c2)nc(Cl)c1C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 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
SCHEMBL24310222 0.89 KDM5B (0.30) —
SCHEMBL24310706 0.78 ALDH1A1 (0.33) PDE10A
SCHEMBL24309576 0.76 JAK2 (0.33) JAK2JAK1
SCHEMBL24309898 0.76 ALDH1A1 (0.31) —
SCHEMBL24310652 0.74 KDM5B (0.30) —
SCHEMBL24309878 0.73 PIK3CD (0.34) PDE10A
SCHEMBL24310169 0.71 FLT4 (0.31) —
SCHEMBL24310412 0.71 RORC (0.32) —
SCHEMBL24309815 0.68 JAK2 (0.34) JAK2JAK1
SCHEMBL24309723 0.68 JAK2 (0.34) PDE10AJAK2JAK1

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
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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