SCHEMBL29566865

SCHEMBL29566865

Cc1c(Cl)cccc1-c1cc(Oc2ccc(N3CCNCC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 9/20 0.39
▸ FLT3 P36888 1/20 0.37
▸ RIPK2 O43353 2/20 0.36
▸ ACVR1 Q04771 2/20 0.36
▸ NOD2 Q9HC29 2/20 0.36
▸ MT-CO2 P00403 1/20 0.36
▸ NMT1 P30419 2/20 0.36
▸ HTR6 P50406 1/20 0.35
▸ PLA2G7 Q13093 1/20 0.35
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ EGFR P00533 1/20 0.34

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
SCHEMBL24309665 1.00 GUSB (0.39) GUSBFLT3RIPK2ACVR1NOD2
SCHEMBL26807468 0.93 GUSB (0.42) GUSBFLT3RIPK2ACVR1NOD2
SCHEMBL26807466 0.92 FLT3 (0.38) GUSBFLT3RIPK2ACVR1NOD2
SCHEMBL26807316 0.89 RIPK2 (0.39) GUSBFLT3RIPK2ACVR1NOD2
SCHEMBL29566726 0.89 RIPK2 (0.39) GUSBFLT3RIPK2ACVR1NOD2
SCHEMBL24310583 0.87 RIPK2 (0.38) GUSBFLT3RIPK2ACVR1NOD2
SCHEMBL26807757 0.86 GUSB (0.40) GUSBFLT3RIPK2ACVR1NOD2
SCHEMBL26808355 0.85 HTR6 (0.39) GUSBFLT3RIPK2ACVR1NOD2
SCHEMBL29567157 0.85 LTA4H (0.41) GUSBFLT3RIPK2ACVR1NOD2
SCHEMBL24309513 0.85 LTA4H (0.41) GUSBFLT3RIPK2ACVR1NOD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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