SCHEMBL5065704

SCHEMBL5065704

[CH2]COCn1cnc2c(N)ncnc21

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.59
ADORA1 P30542 4/20 0.59
PI4KA P42356 3/20 0.59
PI4K2B Q8TCG2 3/20 0.59
PI4K2A Q9BTU6 3/20 0.59
PI4KB Q9UBF8 3/20 0.59
ADORA2B P29275 1/20 0.56
ENPP1 P22413 2/20 0.55
NT5E P21589 1/20 0.54
AHCY P23526 5/20 0.51

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
SCHEMBL9885880 0.84 ADORA2A (0.69) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL25306268 0.84 ENPP1 (0.61) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL11247503 0.83 ENPP1 (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL20096689 0.82 ADORA2A (0.66) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL2293269 0.82 ADORA2A (0.66) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL10566016 0.82 ENPP1 (0.59) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL2495370 0.82 ADORA2A (0.69) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL12653720 0.81 ADORA2A (0.63) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL29385353 0.80 ADORA2A (0.57) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL18786971 0.80 ADORA2A (0.57) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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-2001488-A2 PREVENTION AND TREATMENT OF CANCER AND OTHER DISEASES Alt Solutions, Inc. (US) 2008-12-17 EP disclosed
WO-2007106561-A2 PREVENTION AND TREATMENT OF CANCER AND OTHER DISEASES ALT SOLUTIONS, INC. (US) 2007-09-20 WO disclosed