SCHEMBL7288442

SCHEMBL7288442

Cc1nc(=O)c(C#N)c(NCCc2ccsc2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
SLC26A6 Q9BXS9 1/20 0.36
BCAT2 O15382 1/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PNP P00491 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ADORA1 P30542 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
ACMSD Q8TDX5 1/20 0.32

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
SCHEMBL7289945 0.84 LMNA (0.54) LMNATP53PDE4APDE4BPDE4C
SCHEMBL7282870 0.82 PDE4B (0.46) LMNATP53PDE4APDE4BPDE4C
SCHEMBL7289643 0.80 PDE4A (0.59) LMNATP53PDE4APDE4BPDE4C
SCHEMBL7291550 0.77 KMT2A (0.58) LMNAALDH1A1KDM4EGAAHPGD
SCHEMBL7288541 0.76 ALDH1A1 (0.46) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL7291924 0.74 PDE4A (0.52) LMNATP53PDE4APDE4BPDE4C
SCHEMBL7282267 0.73 GAA (0.41) LMNATP53PDE4APDE4BPDE4C
SCHEMBL7281409 0.73 KMT2A (0.52) LMNAALDH1A1KDM4ESMN1; SMN2DRD2
SCHEMBL7289446 0.72 PDE4A (0.53) LMNAPDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7288081 0.71 PDE4A (0.52) LMNAPDE4APDE4BPDE4CPDE4D

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