SCHEMBL21759810

SCHEMBL21759810

CCn1c(=O)n(-c2ccc(-c3cccc4ncn(N)c34)cc2)c2ncccc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.35
MAPK8 P45983 1/20 0.34
PGR P06401 1/20 0.34
AKT1 P31749 5/20 0.34
FAAH O00519 3/20 0.34
AKT2 P31751 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE10A Q9Y233 2/20 0.33
METAP2 P50579 3/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
PABPC1 P11940 1/20 0.32
KMT2A Q03164 1/20 0.32
ACVR1 Q04771 1/20 0.32
MAPK14 Q16539 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
SCHEMBL9981009 0.89 ACVR1 (0.39) ARMAPK8PGRFAAHPDE4A
SCHEMBL9980942 0.79 METAP2 (0.50) ARMAPK8PGRAKT1FAAH
SCHEMBL9980966 0.79 PDE4A (0.39) ARMAPK8PGRFAAHPDE4A
SCHEMBL9981039 0.76 MAPK8 (0.45) ARMAPK8PGRAKT1FAAH
SCHEMBL9981138 0.74 METAP2 (0.39) ARMAPK8PGRAKT1FAAH
SCHEMBL9981438 0.74 PGR (0.48) ARMAPK8PGRFAAHPDE4A
SCHEMBL15379959 0.73 FAAH (0.37) ARMAPK8PGRFAAHPDE10A
SCHEMBL1701308 0.73 KDM4E (0.52) ARMAPK8PGRFAAHPDE4A
SCHEMBL9980899 0.72 AR (0.45) ARMAPK8PDE4APDE4BPDE4C
SCHEMBL9980990 0.70 PDE10A (0.44) PDE4BPDE10AMEN1POLBPABPC1

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
EP-2585462-B1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2020-02-26 EP disclosed