SCHEMBL22624944

SCHEMBL22624944

O=C1C(=Cc2ccc[nH]2)C(=O)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 8/20 0.63
▸ KDR P35968 5/20 0.63
▸ PDGFRB P09619 5/20 0.63
▸ RET P07949 4/20 0.63
▸ FLT3 P36888 3/20 0.63
▸ JAK3 P52333 2/20 0.63
▸ FLT1 P17948 2/20 0.63
▸ ALK Q9UM73 2/20 0.63
▸ TLK2 Q86UE8 2/20 0.63
▸ NTRK1 P04629 2/20 0.63
▸ SYK P43405 1/20 0.63
▸ ATM Q13315 1/20 0.63
▸ CHEK1 O14757 1/20 0.63
▸ AURKA O14965 1/20 0.63
▸ DAPK3 O43293 1/20 0.63
▸ PRKD3 O94806 1/20 0.63
▸ MAP4K4 O95819 1/20 0.63
▸ LCK P06239 1/20 0.63
▸ FYN P06241 1/20 0.63
▸ CSF1R P07333 1/20 0.63

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
SCHEMBL32676559 0.79 PDPK1 (0.74) PDPK1KDRPDGFRBRETFLT3
SCHEMBL32676535 0.79 PDPK1 (0.74) PDPK1KDRPDGFRBRETFLT3
SCHEMBL32676572 0.79 PDPK1 (0.74) PDPK1KDRPDGFRBRETFLT3
SCHEMBL13038796 0.78 PDPK1 (1.00) PDPK1KDRPDGFRBRETFLT3
SCHEMBL30898303 0.78 PDPK1 (1.00) PDPK1KDRPDGFRBRETFLT3
SCHEMBL1162656 0.78 PDPK1 (1.00) PDPK1KDRPDGFRBRETFLT3
SCHEMBL1162655 0.78 PDPK1 (1.00) PDPK1KDRPDGFRBRETFLT3
SCHEMBL30898301 0.78 PDPK1 (1.00) PDPK1KDRPDGFRBRETFLT3
SCHEMBL29385385 0.78 PDPK1 (1.00) PDPK1KDRPDGFRBRETFLT3
SCHEMBL6015866 0.74 PDPK1 (0.58) PDPK1KDRPDGFRBRETFLT3

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-2020223439-A1 AURONES AND METHODS OF USING AURONES TO TREAT TUBERCULOSIS Middle Tennessee State University (US) 2020-11-05 — — WO disclosed
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