SCHEMBL9873647

SCHEMBL9873647

CC(C)c1nc2c(SCc3ccccc3)nnc(O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 5/20 0.38
PDE7B Q9NP56 5/20 0.38
PDE4A P27815 5/20 0.38
PDE4B Q07343 5/20 0.38
PDE4C Q08493 5/20 0.38
PDE4D Q08499 5/20 0.38
PDE3B Q13370 5/20 0.38
PDE3A Q14432 5/20 0.38
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34

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
SCHEMBL9873196 0.93 PDE7A (0.40) PDE7APDE7BPDE4APDE4BPDE4C
SCHEMBL9873032 0.92 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9874535 0.89 PPARG (0.33)
SCHEMBL9872957 0.89 PDE4A (0.38) PDE7APDE7BPDE4APDE4BPDE4C
SCHEMBL9871840 0.89 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL9873778 0.88 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9874661 0.86 AGTR2 (0.35) AGTR2
SCHEMBL9874995 0.86 AGTR1 (0.35) PDE7APDE7BPDE4APDE4BPDE4C
SCHEMBL9873149 0.86 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9873077 0.86 AGTR1 (0.35) PDE3BPDE3AAGTR1AGTR2

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
WO-1991019715-A1 1H-SUBSTITUTED-IMIDAZO[4,5-d]PYRIDAZINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-26 WO disclosed