SCHEMBL28110177

SCHEMBL28110177

COc1ccc(-c2cc(C)n(Cc3ccc(F)cc3)n2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.57
PDE4A P27815 4/20 0.57
PDE4C Q08493 4/20 0.57
PDE4D Q08499 4/20 0.57
HDAC3 O15379 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
NCOR2 Q9Y618 2/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 3/20 0.56
TP53 P04637 1/20 0.50
MDM2 Q00987 1/20 0.50

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
SCHEMBL28110180 0.83 SMN1; SMN2 (0.48) PDE4BPDE4APDE4CPDE4DHDAC3
SCHEMBL28109719 0.79 HDAC3 (0.64) PDE4BPDE4APDE4CPDE4DHDAC3
SCHEMBL16934941 0.76 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL3603088 0.76 NR3C2 (0.53) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL25417232 0.75 MAPT (0.48) PDE4BPDE4APDE4CPDE4DHDAC3
SCHEMBL23409921 0.74 PDE4A (0.55) PDE4BPDE4APDE4CPDE4DHDAC3
SCHEMBL28109712 0.73 SMN1; SMN2 (0.55) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL5584841 0.73 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DHDAC3
SCHEMBL1925453 0.73 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DHDAC3
SCHEMBL1924540 0.73 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DHDAC3

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
CN-106061975-A Pyrazolo[1,5-a]pyrimidines as antiviral compounds 阿波德穆斯公司 2016-10-26 CN claimed
CN-106061975-B Pyrazolo [1,5-A] pyrimidine as antiviral compound 库洛维公司 2019-09-24 CN disclosed
CN-106061975-A Pyrazolo[1,5-a]pyrimidines as antiviral compounds 阿波德穆斯公司 2016-10-26 CN disclosed