SCHEMBL14786537

SCHEMBL14786537

CC(=CC[AsH]c1ncnc2nc(N(C)C)[nH]c12)CO

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 1/20 0.47
▸ TSHR P16473 1/20 0.37
▸ RECQL P46063 1/20 0.37

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
SCHEMBL14786534 1.00 NUDT1 (0.47) NUDT1TSHRRECQL
SCHEMBL14786533 0.84 NUDT1 (0.35) NUDT1TSHRRECQL
SCHEMBL14779031 0.77 TSHR (0.61) NUDT1TSHRRECQL
SCHEMBL14779033 0.77 TSHR (0.61) NUDT1TSHRRECQL
SCHEMBL14779334 0.68 CDK2 (0.59) NUDT1TSHRRECQL
SCHEMBL14779029 0.66 TSHR (0.53) NUDT1TSHRRECQL
SCHEMBL3802729 0.62 TSHR (0.40) NUDT1TSHRRECQL
SCHEMBL14779867 0.59 TSHR (0.64) NUDT1TSHRRECQL
SCHEMBL14779864 0.59 TSHR (0.64) NUDT1TSHRRECQL
SCHEMBL14779730 0.57 CSF1R (0.65) NUDT1TSHR

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-2755977-A1 6, 8- DISUBSTITUTED PURINE COMPOSITIONS AND THEIR PHARMACEUTICAL AND COSMETIC USE Univerzita Palackého v Olomouci (CZ) 2014-07-23 — — EP disclosed
WO-2013037333-A1 6, 8- DISUBSTITUTED PURINE COMPOSITIONS AND THEIR PHARMACEUTICAL AND COSMETIC USE UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2013-03-21 — — WO disclosed
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