SCHEMBL7326968

SCHEMBL7326968

N=NN=Nc1cccc2ncncc12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.38
PI4KA P42356 1/20 0.30
PI4K2B Q8TCG2 1/20 0.30
PI4K2A Q9BTU6 1/20 0.30
PI4KB Q9UBF8 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL7371735 0.77 MAPT (0.45)
SCHEMBL2007641 0.70 EGFR (0.47) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL13837217 0.67 MEN1 (0.37)
SCHEMBL4036487 0.66 EGFR (0.47) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL19716355 0.66 EGFR (0.47) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL18810410 0.66 EGFR (0.47) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL3820499 0.66 EGFR (0.47) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL1261572 0.66 EGFR (0.47) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL1502533 0.66 EGFR (0.47) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL277181 0.66 EGFR (0.47) EGFRPI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535104-B1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1996-09-04 EP disclosed
US-5276028-A Psychological disorders, anticonvulsants, anxiolytic or hypnotics and cognition activators NORDISK A/S (DK) 1994-01-04 US disclosed
WO-1992000298-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-01-09 WO disclosed