SCHEMBL24966377

SCHEMBL24966377

Cc1ccc(SNc2ccc3c(c2)/C(=C/c2cccnc2N)C(=O)N3)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GSK3B P49841 2/20 0.40
▸ PDPK1 O15530 5/20 0.39
▸ RET P07949 1/20 0.39
▸ PDK1 Q15118 2/20 0.39
▸ TLK2 Q86UE8 4/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAP4K1 Q92918 1/20 0.38
▸ AKT2 P31751 3/20 0.38
▸ NEK2 P51955 1/20 0.37
▸ TGM2 P21980 1/20 0.37

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
SCHEMBL30155051 0.82 ALDH1A1 (0.49) MEN1KMT2APDPK1ALDH1A1
SCHEMBL24966378 0.82 ALDH1A1 (0.49) MEN1KMT2APDPK1ALDH1A1
SCHEMBL24967155 0.80 TLK2 (0.57) MEN1KMT2APDPK1RETPDK1
SCHEMBL24966362 0.80 TLK2 (0.58) TLK2
SCHEMBL24967119 0.78 NPC1 (0.56) MEN1KMT2APDPK1RETTLK2
SCHEMBL24967157 0.77 MAP4K1 (0.47) MEN1KMT2AGSK3BPDPK1TLK2
SCHEMBL24966370 0.67 PDPK1 (0.64) GSK3BPDPK1RETPDK1TLK2
SCHEMBL24966374 0.67 NTRK1 (0.63) MEN1KMT2APDPK1PDK1TLK2
SCHEMBL17179651 0.65 MEN1 (1.00) MEN1KMT2AGSK3BPDPK1RET
SCHEMBL24967153 0.64 PDPK1 (0.56) GSK3BPDPK1RETMAPT

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
WO-2023001942-A1 14-3-3 PROTEIN MODULATORS AS ANTITUMOR AGENTS RAPPOSELLI SIMONA (IT) 2023-01-26 — — WO disclosed
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