SCHEMBL9279475

SCHEMBL9279475

CCCCCCNC(CCCCCCCCC(C)O)n1c(=O)c2c(ncn2C)n(C)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ADORA2A P29274 4/20 0.41
ACHE P22303 2/20 0.41
PIK3CD O00329 1/20 0.41
POLB P06746 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CNR1 P21554 1/20 0.41
ADORA1 P30542 1/20 0.41
NTSR1 P30989 1/20 0.41
MC3R P41968 1/20 0.41
NOTUM Q6P988 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
GDA Q9Y2T3 1/20 0.41
NR2E1 Q9Y466 1/20 0.41
PDE4A P27815 4/20 0.40
PDE4B Q07343 4/20 0.40
PDE4C Q08493 4/20 0.40
PDE4D Q08499 4/20 0.40

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
SCHEMBL28454 1.00 ADORA2B (0.42) ADORA2BLMNASMN1; SMN2ADORA2AACHE
SCHEMBL2039820 1.00 ADORA2B (0.42) ADORA2BLMNASMN1; SMN2ADORA2AACHE
SCHEMBL8804033 1.00 ADORA2B (0.42) ADORA2BLMNASMN1; SMN2ADORA2AACHE
SCHEMBL9276567 1.00 ADORA2B (0.42) ADORA2BLMNASMN1; SMN2ADORA2AACHE
SCHEMBL9389745 0.94 ADORA2B (0.42) ADORA2BLMNASMN1; SMN2ADORA2AACHE
SCHEMBL8978234 0.91 ADORA2B (0.41) ADORA2BLMNASMN1; SMN2ADORA2AACHE
SCHEMBL2733652 0.91 ADORA2B (0.42) ADORA2BLMNASMN1; SMN2ADORA2AACHE
SCHEMBL9284660 0.90 ADORA2B (0.40) ADORA2BLMNASMN1; SMN2ADORA2AACHE
SCHEMBL9385319 0.84 ADORA2B (0.41) ADORA2BLMNASMN1; SMN2ADORA2AACHE
SCHEMBL21708442 0.83 ADORA2B (0.45) ADORA2BLMNASMN1; SMN2ADORA2AACHE

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-1995013808-A1 METHOD FOR SELECTIVELY INHIBITING IL-2 SIGNAL TRANSDUCTION CELL THERAPEUTICS, INC. (US) 1995-05-26 WO disclosed
WO-1994022863-A9 SECOND MESSENGER CELL SIGNALING INHIBITORS 1994-12-22 WO disclosed