SCHEMBL10669003

SCHEMBL10669003

Nc1ncnc2c1ncn2C12CC3CC(CC(C3)C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 6/20 1.00
PI4K2B Q8TCG2 6/20 1.00
PI4K2A Q9BTU6 6/20 1.00
PI4KB Q9UBF8 6/20 1.00
ADORA2A P29274 6/20 0.50
ADORA3 P0DMS8 3/20 0.50
SLC28A1 O00337 2/20 0.50
ADORA1 P30542 3/20 0.47
ADORA2B P29275 1/20 0.47
AHCY P23526 3/20 0.45
GMPS P49915 1/20 0.44
SLC28A2 O43868 1/20 0.43

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
SCHEMBL4750863 0.82 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21138218 0.78 PI4KA (0.63) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL3300177 0.72 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL10668441 0.71 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KB
SCHEMBL27438888 0.71 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL27437232 0.71 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL23969763 0.69 PI4K2A (0.56) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL9687595 0.68 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL9687602 0.68 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL7738504 0.68 PI4KA (0.66) PI4KAPI4K2BPI4K2API4KBADORA2A

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
US-4751292-A PLANT GROWTH REGULATORS THE PLANT CELL RESEARCH INSTITUTE, INC. 1988-06-14 US claimed
US-4751292-A PLANT GROWTH REGULATORS THE PLANT CELL RESEARCH INSTITUTE, INC. 1988-06-14 US disclosed