SCHEMBL24310092

SCHEMBL24310092

Cc1ccccc1-c1nc(N[S+]([O-])c2cnn(C)c2)nc(Oc2ccc(C3CCN(C)CC3)cc2)c1C(F)(F)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 2/20 0.31
▸ MAP4K3 Q8IVH8 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
SCHEMBL24309552 0.90 MAPK7 (0.32) —
SCHEMBL24309562 0.90 FLT4 (0.32) —
SCHEMBL24309974 0.89 MAP4K1 (0.32) MAP4K1MAP4K3
SCHEMBL24309785 0.89 MAP4K1 (0.33) MAP4K1MAP4K3
SCHEMBL24310186 0.88 CTSC (0.35) MAP4K1
SCHEMBL24310535 0.88 PTK2 (0.31) —
SCHEMBL24310802 0.85 IGF1R (0.31) MAP4K1MAP4K3
SCHEMBL24310531 0.84 CTSC (0.32) MAP4K1
SCHEMBL24310776 0.84 CTSC (0.37) MAP4K1
SCHEMBL24309541 0.83 HTR1A (0.34) MAP4K1MAP4K3

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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