SCHEMBL4384737

SCHEMBL4384737

CCCCCCn1c(N)nc2[nH]cnc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.53
PNP P00491 1/20 0.48
USP2 O75604 3/20 0.46
POLB P06746 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
PDE4A P27815 5/20 0.44
ADORA2A P29274 5/20 0.44
PDE4B Q07343 5/20 0.44
PDE4C Q08493 5/20 0.44
PDE4D Q08499 5/20 0.44
ADORA3 P0DMS8 1/20 0.44
TLR8 Q9NR97 7/20 0.43

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
SCHEMBL8536000 1.00 ADORA2B (0.53) ADORA2BPNPUSP2POLBMEN1
SCHEMBL6272293 1.00 ADORA2B (0.53) ADORA2BPNPUSP2POLBMEN1
Hydrochloric Acid SCHEMBL258895 0.99 ADORA2B (0.52) ADORA2BPNPUSP2POLBMEN1
SCHEMBL8522266 0.99 ADORA2B (0.51) ADORA2BPNPUSP2POLBMEN1
SCHEMBL6272726 0.95 PDE4A (0.49) ADORA2BPNPUSP2POLBMEN1
Acetic Acid SCHEMBL4280715 0.94 ADORA2B (0.48) ADORA2BPNPUSP2POLBMEN1
SCHEMBL667794 0.89 PDE4A (0.49) ADORA2BHPGDPDE4AADORA2APDE4B
SCHEMBL8196740 0.86 ADORA2B (0.37) ADORA2BPNPUSP2POLBMEN1
SCHEMBL874734 0.83 ADORA2A (0.45) ADORA2BPNPHTTPDE4AADORA2A
SCHEMBL3671337 0.81 PNP (0.37) ADORA2BPNPMAPTPDE4AADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009043899-A1 DRUG TRANSFER INTO LIVING CELLS COVALYS BIOSCIENCES AG (CH) 2009-04-09 WO disclosed
JP-2001055528-A RECEPTIVE INK AND PRINTING SUBSTRATE AND PRINTING ARTICLE USING SAME TEIKOKU PRINTING INKS MFG CO LTD 2001-02-27 JP disclosed