SCHEMBL24309850

SCHEMBL24309850

CC(C)c1ccccc1-c1cc(Cl)nc(NSc2cnn(C)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.35
▸ JAK1 P23458 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ USP1 O94782 1/20 0.33
▸ TRPA1 O75762 1/20 0.32
▸ IDH1 O75874 2/20 0.32
▸ MAP4K1 Q92918 2/20 0.31
▸ FLT4 P35916 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ PFKFB3 Q16875 2/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ LMNA P02545 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
SCHEMBL24309763 0.87 USP1 (0.33) AXLJAK1JAK3USP1TRPA1
SCHEMBL24310657 0.84 AXL (0.31) AXLJAK1JAK3USP1TRPA1
SCHEMBL24309345 0.84 JAK1 (0.32) AXLJAK1JAK3USP1TRPA1
SCHEMBL24309663 0.83 GPR39 (0.37) AXLJAK1JAK3
SCHEMBL24309791 0.80 AXL (0.33) AXLJAK1JAK3USP1FLT4
SCHEMBL24310671 0.79 JAK2 (0.36) AXLJAK1JAK3USP1KDR
SCHEMBL24309696 0.79 HSP90AA1 (0.35) USP1TRPA1LMNA
SCHEMBL24309932 0.78 CCNT1 (0.33) MAP4K1PFKFB3
SCHEMBL24309750 0.78 HTR1A (0.43) AXLJAK1JAK3USP1KDR
SCHEMBL29566741 0.78 HTR1A (0.43) AXLJAK1JAK3USP1KDR

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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