SCHEMBL9871433

SCHEMBL9871433

Cc1nc2c(SCc3ccccc3)nnc(SCc3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.40
PDE4B Q07343 7/20 0.40
PDE4C Q08493 7/20 0.40
PDE4D Q08499 7/20 0.40
PDE3B Q13370 7/20 0.40
PDE3A Q14432 7/20 0.40
PDE7A Q13946 6/20 0.40
PDE7B Q9NP56 6/20 0.40
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37

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
SCHEMBL9872957 0.93 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9873196 0.89 PDE7A (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9873563 0.87 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9873125 0.87 AGTR1 (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9874338 0.84 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9874102 0.84 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9872187 0.84 AGTR1 (0.39) PDE7APDE7BAGTR1AGTR2
SCHEMBL9873647 0.82 PDE7A (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9874478 0.82 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9871103 0.81 AGTR1 (0.42) AGTR1AGTR2

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