SCHEMBL5756034

SCHEMBL5756034

Cc1ccc(C2=NCCN2CC(C)Cc2nc(C)c(C)c(=O)n2Cc2ccccc2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ TP53 P04637 3/20 0.33
▸ TLR7 Q9NYK1 1/20 0.32
▸ CASR P41180 2/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ GNRHR P30968 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ SCD O00767 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ HTR1B P28222 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ DUSP3 P51452 1/20 0.31
▸ PTPN5 P54829 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4363455 0.77 KDM4E (0.38) KDM4EPOLBTP53TLR7CASR
SCHEMBL5669991 0.69 ALDH1A1 (0.37) POLBTP53LMNAMAPTGAA
SCHEMBL5752851 0.66 ADORA3 (0.38) KDM4ETP53TLR7CASRLMNA
SCHEMBL6017115 0.65 PDE4A (0.56) TLR7CASRLMNAMAPTALDH1A1
SCHEMBL5753789 0.65 KIF11 (0.44) —
SCHEMBL4364853 0.64 ALDH1A1 (0.41) POLBTP53TLR7LMNAMAPT
SCHEMBL4364324 0.64 ALDH1A1 (0.41) POLBTP53TLR7LMNAMAPT
SCHEMBL4366737 0.62 KIF11 (0.55) —
SCHEMBL5233894 0.62 KIF11 (0.47) KDM4ETP53LMNAMAPTGAA
SCHEMBL4367588 0.60 TLR7 (0.46) KDM4EPOLBTLR7CASRLMNA

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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