SCHEMBL10180897

SCHEMBL10180897

CCN(CC)CCOc1cccc(N[C@@H](C)C(=O)Nc2nc(N)nc(SC)c2C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ PKM P14618 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 4/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ESR1 P03372 2/20 0.37
▸ TSHR P16473 2/20 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
SCHEMBL10180894 0.94 HPGD (0.44) HPGDMEN1KMT2APKMLMNA
SCHEMBL964955 0.82 MEN1 (0.48) HPGDMEN1KMT2APKMLMNA
SCHEMBL10180464 0.78 KMT2A (0.47) HPGDMEN1KMT2APKMLMNA
SCHEMBL10181157 0.78 KMT2A (0.47) HPGDMEN1KMT2APKMLMNA
SCHEMBL966640 0.77 KMT2A (0.45) HPGDMEN1KMT2APKMLMNA
SCHEMBL3459842 0.77 MEN1 (0.37) HPGDMEN1KMT2APKMLMNA
SCHEMBL964953 0.75 MEN1 (0.51) HPGDMEN1KMT2APKMLMNA
SCHEMBL3460271 0.74 BRAF (0.39) HPGDMEN1KMT2APKMLMNA
SCHEMBL3461566 0.73 KMT2A (0.41) HPGDMEN1KMT2APKMLMNA
SCHEMBL13126226 0.73 MEN1 (0.51) HPGDMEN1KMT2APKMLMNA

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-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP claimed
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