Sugi Predict

Sugi Predict / Compounds / SCHEMBL23967439

SCHEMBL23967439

SCHEMBL23967439

COc1c(NC(=O)Nc2ccc(Oc3ccnc(S)n3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 18/20 0.67
▸ SRC P12931 10/20 0.66
▸ SYK P43405 10/20 0.66
▸ MAPK14 Q16539 10/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ CXCL8 P10145 1/20 0.64
▸ LCK P06239 1/20 0.62

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
SCHEMBL6300965 0.92 GSK3A (0.67) GSK3ASRCSYKMAPK14CYP3A4
SCHEMBL16106395 0.92 GSK3A (0.69) GSK3ASRCSYKMAPK14CYP3A4
SCHEMBL16138970 0.92 GSK3A (0.67) GSK3ASRCSYKMAPK14CYP3A4
SCHEMBL6546085 0.91 GSK3A (0.68) GSK3ASRCSYKMAPK14CYP3A4
SCHEMBL6298577 0.91 GSK3A (0.66) GSK3ASRCSYKMAPK14CYP3A4
SCHEMBL6298693 0.91 GSK3A (0.71) GSK3ASRCSYKMAPK14CYP3A4
SCHEMBL6300975 0.91 GSK3A (0.66) GSK3ASRCSYKMAPK14CYP3A4
SCHEMBL6305196 0.91 MAPK14 (0.75) GSK3ASRCSYKMAPK14CYP3A4
SCHEMBL6545988 0.89 GSK3A (0.66) GSK3ASRCSYKMAPK14CYP3A4
SCHEMBL6299895 0.89 GSK3A (0.66) GSK3ASRCSYKMAPK14CYP3A4

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-2981526-B1 INTERMEDIATES USEFUL IN THE PREPARATION OF NAPHTHYLUREA DERIVATIVES USEFUL AS KINASE INHIBITORS OXULAR ACQUISITIONS LTD (GB) 2021-11-03 — — EP disclosed