SCHEMBL29566726

SCHEMBL29566726

Cc1ccccc1-c1cc(Oc2ccc(N3CCNCC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 5/20 0.39
▸ ACVR1 Q04771 5/20 0.39
▸ NOD2 Q9HC29 5/20 0.39
▸ HTR6 P50406 2/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ LTA4H P09960 1/20 0.37
▸ MAPK10 P53779 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ GUSB P08236 2/20 0.36
▸ HTR1A P08908 2/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ MAP4K1 Q92918 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ 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
SCHEMBL26807316 1.00 RIPK2 (0.39) RIPK2ACVR1NOD2HTR6FLT3
SCHEMBL26807466 0.94 FLT3 (0.38) RIPK2ACVR1NOD2HTR6FLT3
SCHEMBL26807468 0.91 GUSB (0.42) RIPK2ACVR1NOD2HTR6FLT3
SCHEMBL24310583 0.91 RIPK2 (0.38) RIPK2ACVR1NOD2HTR6FLT3
SCHEMBL26807463 0.91 ACVR1 (0.40) RIPK2ACVR1NOD2HTR6GUSB
SCHEMBL26808355 0.90 HTR6 (0.39) RIPK2ACVR1NOD2HTR6FLT3
SCHEMBL26807460 0.89 HTR6 (0.43) RIPK2ACVR1NOD2HTR6FLT3
SCHEMBL29566865 0.89 GUSB (0.39) RIPK2ACVR1NOD2HTR6FLT3
SCHEMBL24309665 0.89 GUSB (0.39) RIPK2ACVR1NOD2HTR6FLT3
SCHEMBL26807465 0.89 ACVR1 (0.39) RIPK2ACVR1NOD2HTR6FLT3

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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