SCHEMBL7289643

SCHEMBL7289643

Cc1nc(=O)c(C#N)c(NCCc2cccnc2)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.59
PDE4B Q07343 1/20 0.59
PDE4C Q08493 1/20 0.59
PDE4D Q08499 1/20 0.59
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 4/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GFER P55789 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
MAPK10 P53779 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NRP1 O14786 1/20 0.38
INSR P06213 1/20 0.38
IGF1R P08069 1/20 0.38

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
Pelrinone SCHEMBL783978 0.88 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DLMNA
Pelrinone SCHEMBL124976 0.87 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7282870 0.87 PDE4B (0.46) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7289945 0.87 LMNA (0.54) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7288442 0.80 LMNA (0.40) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7288541 0.78 ALDH1A1 (0.46) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7289278 0.77 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7289446 0.77 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7291550 0.77 KMT2A (0.58) LMNAHPGDKDM4EALDH1A1NPC1
SCHEMBL7291924 0.77 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DLMNA

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
US-4505910-A Amino-pyrimidine derivatives, compositions and use AMERICAN HOME PRODUCTS CORPORATION (US) 1985-03-19 US claimed
EP-0130735-A1 Amino-pyrimidine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1985-01-09 EP claimed
US-4505910-A Amino-pyrimidine derivatives, compositions and use AMERICAN HOME PRODUCTS CORPORATION (US) 1985-03-19 US disclosed
EP-0130735-A1 Amino-pyrimidine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1985-01-09 EP disclosed