SCHEMBL8060869

SCHEMBL8060869

C=C(Nc1cnc(-n2c(C)nc3cc(-c4ncco4)ccc32)cn1)c1c(F)cccc1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IL2 P60568 4/20 0.41
MAPK1 P28482 1/20 0.36
P2RX7 Q99572 2/20 0.33
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 4/20 0.33
PIK3R2 O00459 1/20 0.32
BACE1 P56817 2/20 0.31
BACE2 Q9Y5Z0 2/20 0.31
ADORA2A P29274 2/20 0.30
ADORA1 P30542 2/20 0.30
ADORA2B P29275 1/20 0.30

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
SCHEMBL647160 0.79 IL2 (0.46) IL2MAPK1HCRTR1HCRTR2BACE1
SCHEMBL3097793 0.78 IL2 (0.44) IL2
SCHEMBL8055351 0.76 IL2 (0.42) IL2
SCHEMBL3103400 0.70 RAB9A (0.45) IL2
SCHEMBL8069094 0.68 STIM1 (0.43) IL2MAPK1
SCHEMBL3092144 0.68 IL2 (0.46) IL2
SCHEMBL3109398 0.67 IL2 (0.41) IL2
SCHEMBL5554286 0.66 IL2 (0.69) IL2
SCHEMBL2817751 0.64 IL2 (0.69) IL2
SCHEMBL11940274 0.63 IL2 (0.41) IL2

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-2009038775-A1 SUBSTITUTED BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-03-26 WO disclosed