SCHEMBL5280674

SCHEMBL5280674

CC(C)c1nc(N2CCCCC2)ncc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CAMK1D Q8IU85 14/20 0.47
PIP5K1C O60331 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RIPK4 P57078 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAP2K5 Q13163 1/20 0.46
CAMK1 Q14012 1/20 0.46
MAP3K11 Q16584 1/20 0.46
PNCK Q6P2M8 1/20 0.46
CAMK1G Q96NX5 1/20 0.46
PTPN11 Q06124 1/20 0.44
PDE4B Q07343 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSP90AA1 P07900 1/20 0.42
LMNA P02545 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL8090998 0.78 POLB (0.55) POLBSMN1; SMN2CAMK1DPTPN11PDE4B
SCHEMBL19261369 0.72 P2RX3 (0.45) HSP90AA1
SCHEMBL4569214 0.72 NNMT (0.40) HSP90AA1
Formic Acid SCHEMBL30422549 0.72 PDE4B (0.50) POLBSMN1; SMN2CAMK1DPIP5K1CCYP2C9
SCHEMBL30331571 0.71 POLB (0.78) POLBSMN1; SMN2PTPN11ALDH1A1LMNA
SCHEMBL4790004 0.71 POLB (0.49) POLBSMN1; SMN2PTPN11ALDH1A1CASP1
SCHEMBL13667424 0.70 CAMK1D (0.49) POLBSMN1; SMN2CAMK1DPIP5K1CCYP2C9
SCHEMBL21399102 0.69 POLB (0.42) POLBSMN1; SMN2ALDH1A1HSP90AA1LMNA
SCHEMBL9299149 0.69 PTPN11 (0.60) POLBSMN1; SMN2PTPN11ALDH1A1
SCHEMBL30309414 0.69 POLB (0.45) POLBSMN1; SMN2CAMK1DPTPN11PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809290-A2 PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE Vertex Pharmaceuticals Incorporated (US) 2007-07-25 EP disclosed
WO-2006050476-A2 PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-05-11 WO disclosed