SCHEMBL7984800

SCHEMBL7984800

COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1Cc1ccncc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.66
PDE4B Q07343 19/20 0.66
PDE4C Q08493 19/20 0.66
PDE4D Q08499 19/20 0.66
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
FLT1 P17948 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL7983133 0.83 PDE4B (0.45) PDE4APDE4BPDE4CPDE4DPDGFRB
SCHEMBL6228197 0.82 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL6585373 0.81 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL6586115 0.81 PDE4A (0.64) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL6588638 0.80 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL8344691 0.79 PDE4A (0.71) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL6590136 0.79 PDE4D (0.98) PDE4APDE4BPDE4CPDE4D
SCHEMBL7450274 0.76 PDE4D (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL6592499 0.76 PDE4D (0.77) PDE4APDE4BPDE4CPDE4D
SCHEMBL6233772 0.76 PDE4A (0.56) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329370-B1 CARDIOVASCULAR DISORDERS AND TUMOR NECROSIS FACTOR (HEREINAFTER TNF.SUB..ALPHA.), A CYTOKINE WITH PRO-INFLAMMATORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 2001-12-11 US disclosed