SCHEMBL14037129

SCHEMBL14037129

Nc1ncnc2c1ncn2CCCF

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.72
ADORA1 P30542 4/20 0.67
ADORA2B P29275 1/20 0.67
PI4KA P42356 3/20 0.61
PI4K2B Q8TCG2 3/20 0.61
PI4K2A Q9BTU6 3/20 0.61
PI4KB Q9UBF8 3/20 0.61
ADCY5 O95622 4/20 0.60
NSD2 O96028 2/20 0.57
NSD3 Q9BZ95 2/20 0.57
ALDH1A1 P00352 1/20 0.56
ADCY1 Q08828 1/20 0.56

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
SCHEMBL67131 0.89 ADORA2A (0.74) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL4906617 0.87 ADORA2A (0.72) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL11222112 0.86 ADORA2A (0.80) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL38913 0.86 ADORA2A (0.70) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL1532103 0.85 ADORA2A (0.74) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL2638945 0.85 ADORA2A (0.74) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL26981114 0.85 ADORA2A (0.74) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL5033136 0.85 ADORA2A (0.73) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL19631092 0.84 ADORA2A (0.72) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL20445820 0.84 ADORA2A (0.72) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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-2008134578-A2 SYNTHESIS OF OPTICALLY ACTIVE RADIO-LABELED REVERSE TRANSCRIPTASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF (US) 2008-11-06 WO disclosed