SCHEMBL21659050

SCHEMBL21659050

O=c1c(CO)cccn1[C@H]1CCOC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 6/20 0.39
IL4I1 Q96RQ9 1/20 0.37
HTR3A P46098 3/20 0.35
GLP1R P43220 2/20 0.35
NPY5R Q15761 1/20 0.34
P2RX7 Q99572 4/20 0.34
IL1B P01584 3/20 0.34
KDM5A P29375 1/20 0.34
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
RET P07949 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
LTK P29376 1/20 0.33
KDR P35968 1/20 0.33
MAP2K2 P36507 1/20 0.33
FLT3 P36888 1/20 0.33
CDK8 P49336 1/20 0.33
MAP2K1 Q02750 1/20 0.33

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
SCHEMBL21659038 0.91 TYK2 (0.36) TYK2KDM5ASLC5A2
SCHEMBL24915359 0.83 LMNA (0.38) P2RX7KDM5ASLC5A2
SCHEMBL21659048 0.79 KAT2B (0.36) TYK2IL4I1
SCHEMBL23426313 0.79 TYK2 (0.36) TYK2IL4I1GLP1RP2RX7IL1B
SCHEMBL20688516 0.78 TYK2 (0.41) TYK2IL4I1HTR3ALCK
SCHEMBL20689379 0.78 TYK2 (0.41) TYK2IL4I1HTR3ALCK
SCHEMBL16812514 0.78 TYK2 (0.41) TYK2IL4I1HTR3ALCK
SCHEMBL20688037 0.74 TYK2 (0.52) TYK2
SCHEMBL20697279 0.74 MAPT (0.40) TYK2
SCHEMBL20687701 0.74 TYK2 (0.52) TYK2

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
WO-2020023846-A1 PYRIDONE A2R ANTAGONISTS ARCUS BIOSCIENCES, INC. (US) 2020-01-30 WO disclosed