SCHEMBL17435142

SCHEMBL17435142

Cc1nnsc1OC(=O)Nc1cnc(-c2cc(-c3ncco3)ccc2Cl)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IL2 P60568 9/20 0.36
STIM1 Q13586 1/20 0.34
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34
TRPM4 Q8TD43 1/20 0.34
PORCN Q9H237 1/20 0.32
MAP4K1 Q92918 2/20 0.31
AAK1 Q2M2I8 1/20 0.31
WNT3A P56704 1/20 0.30
PIK3C3 Q8NEB9 1/20 0.30
BACE1 P56817 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL17435136 0.92 IL2 (0.42) IL2PORCNMAP4K1WNT3APIK3C3
SCHEMBL14562874 0.91 PORCN (0.39) IL2TRPM4PORCNMAP4K1AAK1
SCHEMBL17435132 0.88 IL2 (0.35) IL2STIM1ORAI1ORAI2BACE1
SCHEMBL8258395 0.85 POLB (0.42) IL2STIM1ORAI1ORAI2HTT
SCHEMBL17435135 0.85 IL2 (0.36) IL2STIM1ORAI1ORAI2KMT2A
SCHEMBL17435130 0.85 STIM1 (0.36) IL2STIM1ORAI1ORAI2PORCN
SCHEMBL14562873 0.84 IL2 (0.42) IL2PORCNMAP4K1AAK1WNT3A
SCHEMBL17435137 0.80 AGPAT2 (0.41) IL2STIM1ORAI1ORAI2HTT
SCHEMBL17435148 0.80 IL2 (0.40) IL2KMT2A
SCHEMBL8259711 0.77 IL2 (0.46) IL2MAP4K1

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
EP-1848435-B1 COMPOUNDS AGAINST INFLAMMATIONS AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2016-01-20 EP claimed