SCHEMBL7519963

SCHEMBL7519963

CC(=O)N1CCN(c2nc(N)ncc2Sc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
PTPN11 Q06124 1/20 0.46
NCF1 P14598 2/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SMO Q99835 1/20 0.44
PI4KB Q9UBF8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GBA1 P04062 1/20 0.41
CASP6 P55212 1/20 0.41
GFER P55789 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
NPY5R Q15761 1/20 0.40
CNR2 P34972 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
MAP4K4 O95819 1/20 0.40
ACHE P22303 2/20 0.39

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
SCHEMBL7508846 0.91 RXFP1 (0.44) CKS1BSKP1SKP2PTPN11NCF1
SCHEMBL7516894 0.90 RXFP1 (0.55) CKS1BSKP1SKP2PTPN11NCF1
SCHEMBL7516678 0.90 RXFP1 (0.41) CKS1BSKP1SKP2PTPN11NCF1
SCHEMBL7519270 0.89 ALDH1A1 (0.42) CKS1BSKP1SKP2PTPN11NCF1
SCHEMBL7518286 0.87 EIF2AK4 (0.46) ALDH1A1LMNASMN1; SMN2RXFP1CNR2
SCHEMBL7522989 0.83 CNR2 (0.44) CKS1BSKP1SKP2PTPN11NCF1
SCHEMBL7514338 0.80 RXFP1 (0.45) NCF1ALDH1A1LMNASMOPI4KB
SCHEMBL7514586 0.80 ITGAL (0.52) PTPN11NCF1LMNASMN1; SMN2SMO
SCHEMBL7514841 0.79 CLK1 (0.42) NCF1LMNASMOPI4KBKDM4E
SCHEMBL7519326 0.79 ALDH1A1 (0.43) NCF1ALDH1A1SMN1; SMN2PI4KBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165522-A1 NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES Krenitsky Pharmaceuticals, Inc. (US) 2002-01-02 EP claimed
WO-2000059893-A1 NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC. (US) 2000-10-12 WO claimed
EP-1165522-A1 NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES Krenitsky Pharmaceuticals, Inc. (US) 2002-01-02 EP disclosed
WO-2000059893-A1 NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC. (US) 2000-10-12 WO disclosed