SCHEMBL24310657

SCHEMBL24310657

CC(C)c1ccccc1-c1cc([S+](C)[O-])nc(NSc2cnn(C)c2)n1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.31
▸ JAK1 P23458 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ TRPA1 O75762 1/20 0.30
▸ USP1 O94782 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
SCHEMBL24309850 0.84 AXL (0.35) AXLJAK1JAK3TRPA1USP1
SCHEMBL24309763 0.83 USP1 (0.33) AXLJAK1JAK3TRPA1USP1
SCHEMBL24309703 0.81 — —
SCHEMBL24309949 0.81 MAP4K1 (0.31) —
SCHEMBL24309345 0.81 JAK1 (0.32) AXLJAK1JAK3TRPA1USP1
SCHEMBL24309663 0.80 GPR39 (0.37) AXLJAK1JAK3
SCHEMBL24310671 0.76 JAK2 (0.36) AXLJAK1JAK3USP1
SCHEMBL24309764 0.75 USP1 (0.32) JAK1JAK3USP1
SCHEMBL24309791 0.73 AXL (0.33) AXLJAK1JAK3USP1
SCHEMBL24310645 0.69 DHFR (0.43) TRPA1

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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