SCHEMBL24309791

SCHEMBL24309791

CC(C)c1ccccc1-c1nc(NSc2cnn(C)c2)nc(Cl)c1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.33
▸ JAK1 P23458 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ USP1 O94782 1/20 0.31
▸ FLT4 P35916 1/20 0.30
▸ KDR P35968 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
SCHEMBL24310652 0.83 KDM5B (0.30) —
SCHEMBL24309833 0.81 JAK2 (0.32) JAK1
SCHEMBL24309850 0.80 AXL (0.35) AXLJAK1JAK3USP1FLT4
SCHEMBL24309360 0.78 DHFR (0.31) —
SCHEMBL24309372 0.78 HTR1A (0.42) JAK1JAK3USP1FLT4KDR
SCHEMBL24309723 0.77 JAK2 (0.34) AXLJAK1
SCHEMBL24309815 0.77 JAK2 (0.34) AXLJAK1
SCHEMBL24309763 0.76 USP1 (0.33) AXLJAK1JAK3USP1
SCHEMBL24309836 0.75 JAK2 (0.33) JAK1JAK3
SCHEMBL24310706 0.73 ALDH1A1 (0.33) —

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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