SCHEMBL20526460

SCHEMBL20526460

Cc1ccc2ncnc(N3CCCCC3(I)c3cc4nc(N5CC(NC(=O)OC(C)(C)C)C5)c(C)cn4n3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.38
PDE2A O00408 2/20 0.34
PDE10A Q9Y233 3/20 0.34
CCRL2 O00421 1/20 0.33
JAK3 P52333 3/20 0.33
MKNK1 Q9BUB5 3/20 0.33
PDGFRB P09619 1/20 0.32
BTK Q06187 1/20 0.32
MET P08581 1/20 0.31
SUV39H2 Q9H5I1 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
KIF18A Q8NI77 1/20 0.31

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
SCHEMBL17823254 0.82 MAP4K4 (0.41) MAP4K4PDE10A
SCHEMBL17827964 0.71
SCHEMBL19677558 0.69 MAP4K4 (0.47) MAP4K4PDE10ASUV39H2
SCHEMBL19665197 0.69 MAP4K4 (0.47) MAP4K4PDE10ASUV39H2
SCHEMBL2738166 0.68 TP53 (0.35) SUV39H2
SCHEMBL19665199 0.68 PDE10A (0.43) MAP4K4PDE10A
SCHEMBL19677561 0.68 PDE10A (0.43) MAP4K4PDE10A
SCHEMBL17827967 0.66 SUV39H2 (0.38) MAP4K4PDE10AJAK3BTKSUV39H2
SCHEMBL17823232 0.66
SCHEMBL2738131 0.66 TRPV1 (0.37)

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-3230287-B1 PIPERIDINE SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES WITH INHIBITORY ACTIVITY ON THE REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) JANSSEN SCIENCES IRELAND UC (IE) 2018-10-10 EP disclosed