SCHEMBL5752851

SCHEMBL5752851

Cc1ccc(C2(CC(C)Cc3nc(C)c(C)c(=O)n3Cc3ccccc3)NCCN2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 3/20 0.37
▸ TLR7 Q9NYK1 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ KIF11 P52732 4/20 0.35
▸ KIF23 Q02241 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CASR P41180 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL5754220 0.73 KIF11 (0.45) ALDH1A1MEN1KMT2ALMNAKIF11
SCHEMBL6017115 0.70 PDE4A (0.56) ALDH1A1MEN1KMT2AMAPTTLR7
SCHEMBL5755195 0.70 KIF11 (0.50) ALDH1A1MEN1KMT2ALMNAKIF11
SCHEMBL5755785 0.68 LMNA (0.41) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL5753789 0.67 KIF11 (0.44) KIF11KIF23
SCHEMBL5755201 0.66 KIF11 (0.40) ALDH1A1KIF11TSHRCASR
SCHEMBL5756160 0.66 KIF11 (0.43) ALDH1A1LMNAKIF11GAA
SCHEMBL5754399 0.66 KIF11 (0.40) ALDH1A1LMNAKIF11SMN1; SMN2HTT
SCHEMBL5756034 0.66 KDM4E (0.37) ALDH1A1MAPTTLR7LMNASMN1; SMN2
SCHEMBL5755734 0.65 PDE10A (0.40) ALDH1A1MEN1KMT2AKIF11HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1503993-A4 COMPOUNDS, METHODS AND COMPOSITIONS CYTOKINETICS INC (US) 2006-05-03 — — EP disclosed
EP-1503993-A2 COMPOUNDS, METHODS AND COMPOSITIONS Cytokinetics, Inc. (US) 2005-02-09 — — EP disclosed
WO-2003094839-A2 PYRIMIDINONE COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2003-11-20 — — WO disclosed
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