SCHEMBL3516432

SCHEMBL3516432

Nc1ncnc2c1ncn2CCC1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.56
ADORA1 P30542 3/20 0.56
ADORA2B P29275 1/20 0.56
PI4KA P42356 2/20 0.51
PI4K2B Q8TCG2 2/20 0.51
PI4K2A Q9BTU6 2/20 0.51
PI4KB Q9UBF8 2/20 0.51
NSD3 Q9BZ95 6/20 0.47
NSD2 O96028 5/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADCY5 O95622 1/20 0.46

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
SCHEMBL13731483 0.81 ADORA2A (0.56) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL3520367 0.80 ADORA2A (0.51) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL4438894 0.80 ADORA2A (0.53) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL4438238 0.80 ADORA2A (0.53) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL3520144 0.79 ADORA2A (0.53) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL28097097 0.79 ADORA2A (0.52) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL11222112 0.78 ADORA2A (0.80) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL3520240 0.76 SRC (0.38) PI4KBLMNA
SCHEMBL7436925 0.76 ADORA2A (0.58) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL3517140 0.76 HSP90AA1 (0.60) ADORA2AADORA1ADORA2B

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-2219448-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS Myriad Pharmaceuticals, Inc. (US) 2010-08-25 EP disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 WO disclosed