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SCHEMBL30779647

SCHEMBL30779647

CC(C)c1cc(C(=O)Nc2cnc3[nH]ccc3c2)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SGMS2 Q8NHU3 2/20 0.46
▸ LRRK2 Q5S007 7/20 0.46
▸ PIK3CA P42336 2/20 0.45
▸ MTOR P42345 2/20 0.45
▸ BRAF P15056 5/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KIT P10721 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ TNIK Q9UKE5 1/20 0.43

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
SCHEMBL20509677 1.00 SGMS2 (0.46) SGMS2LRRK2PIK3CAMTORBRAF
SCHEMBL30779602 0.88 SGMS2 (0.47) SGMS2LRRK2BRAFMEN1KMT2A
SCHEMBL21644625 0.88 SGMS2 (0.47) SGMS2LRRK2BRAFMEN1KMT2A
SCHEMBL21644716 0.86 KDR (0.52) SGMS2LRRK2MEN1KMT2A
SCHEMBL30779598 0.86 KDR (0.52) SGMS2LRRK2MEN1KMT2A
SCHEMBL21644687 0.83 SGMS2 (0.62) SGMS2LRRK2MEN1KMT2AGAA
SCHEMBL30779582 0.83 SGMS2 (0.62) SGMS2LRRK2MEN1KMT2AGAA
SCHEMBL21644617 0.82 LRRK2 (0.44) SGMS2LRRK2MEN1KMT2AGAA
SCHEMBL21644608 0.82 LRRK2 (0.46) SGMS2LRRK2MEN1KMT2AGAA
SCHEMBL30779637 0.82 LRRK2 (0.46) SGMS2LRRK2MEN1KMT2AGAA

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
CN-111164074-B Heat shock protein 90 inhibitors 台北医学大学 2024-02-02 — — CN disclosed