SCHEMBL9149409

SCHEMBL9149409

NCCn1cnc2ncnc-2c1N

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.34
ADORA2A P29274 8/20 0.33
ADORA1 P30542 3/20 0.33
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31

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
SCHEMBL1925165 0.81 AHCY (0.31) ADORA2BADORA2AADORA1
SCHEMBL1276952 0.80 ADORA2A (0.46) ADORA2BADORA2AADORA1PI4KAPI4K2B
SCHEMBL6469375 0.76 AHCY (0.31)
SCHEMBL3731609 0.73 ADORA2A (0.52) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL1914 0.73 ADORA2A (0.41) ADORA2AADORA1
SCHEMBL18642496 0.72 ADORA2A (0.54) ADORA2BADORA2AADORA1
SCHEMBL1232190 0.71
SCHEMBL3084463 0.71
SCHEMBL9405168 0.70 AHCY (0.33)
SCHEMBL9405169 0.69 AHCY (0.32)

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-5399681-A Alkylation with ethyleneimine, rearrangement, bonding to polymer or macromolecule solid support GESELLSCHAFT FUR BIOTECHNOLOGISCHE FORSCHUNG MBH (GBF) (DE) 1995-03-21 US disclosed
EP-0247537-A2 Process for the preparation of N6-substituted NAD, NADP or FAD Gesellschaft für Biotechnologische Forschung mbH (GBF) (DE) 1987-12-02 EP disclosed