SCHEMBL16264889

SCHEMBL16264889

C=C(CCCCCCc1ccc(Nc2nc(Cl)ncc2N)cc1)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK17A Q9UEE5 4/20 0.41
▸ STK17B O94768 2/20 0.41
▸ SYK P43405 3/20 0.38
▸ AURKA O14965 1/20 0.38
▸ AGPAT2 O15120 2/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ EGFR P00533 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ WEE1 P30291 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33

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
SCHEMBL16264828 0.88 EGFR (0.45) STK17ASTK17BSYKAURKAEGFR
SCHEMBL16264830 0.88 EGFR (0.45) STK17ASTK17BSYKAURKAEGFR
SCHEMBL16264934 0.78 RPS6KA3 (0.41) SYKMEN1KMT2AEGFRFGFR1
SCHEMBL16264901 0.77 MEN1 (0.41) STK17ASTK17BMEN1KMT2AEGFR
SCHEMBL16245555 0.75 P2RX3 (0.44) SYKAURKAMAPTKDM4ENPC1
SCHEMBL16245559 0.73 CYSLTR2 (0.44) SYKAURKAMAPTKDM4ENPC1
SCHEMBL16264851 0.71 MEN1 (0.45) AURKAMEN1KMT2AEGFRMAPT
SCHEMBL2411693 0.69 AURKA (0.53) SYKAURKAMEN1KMT2AEGFR
SCHEMBL6507541 0.68 ADORA3 (0.46) STK17AMEN1KMT2AEGFRRAB9A
SCHEMBL16264832 0.68 STK17B (0.49) STK17ASTK17BSYKHDAC1MAPT

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-2014180524-A1 MACROCYCLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-11-13 — — WO disclosed
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