SCHEMBL12427508

SCHEMBL12427508

Nc1cn(C2CCCC2)nc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.37
ADORA2A P29274 5/20 0.35
PI4KB Q9UBF8 4/20 0.35
ADORA3 P0DMS8 4/20 0.35
ADORA1 P30542 4/20 0.35
PI4KA P42356 3/20 0.35
PI4K2B Q8TCG2 3/20 0.35
PI4K2A Q9BTU6 3/20 0.35
BTK Q06187 1/20 0.34
ABL1 P00519 4/20 0.33
ACHE P22303 3/20 0.33
ACVR1 Q04771 2/20 0.33
KDR P35968 2/20 0.33
DAPK3 O43293 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 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
SCHEMBL28047375 0.98 ADORA2A (0.37) AADATADORA2API4KBADORA3ADORA1
SCHEMBL26782831 0.80 HPGD (0.40) AADATBTKACHEHPGDALDH1A1
SCHEMBL31078355 0.80 AADAT (0.36) AADATADORA2API4KBADORA3ADORA1
SCHEMBL25719671 0.79 AADAT (0.38) AADATADORA2API4KBPI4KAPI4K2B
SCHEMBL17047825 0.76 AADAT (0.39) AADATADORA2AADORA3ADORA1BTK
SCHEMBL174443 0.76 PKM (0.38) AADATADORA2API4KBADORA3ADORA1
SCHEMBL175153 0.74 BTK (0.52) AADATBTKACHE
SCHEMBL12428905 0.74 HPGD (0.33) AADATADORA2API4KBADORA3ADORA1
SCHEMBL2077014 0.74 PKM (0.40) AADATADORA2API4KBPI4KAPI4K2B
SCHEMBL12800678 0.74 BTK (0.43) AADATADORA2AADORA1BTKACHE

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
EP-2351751-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2011-08-03 EP disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 WO disclosed