SCHEMBL22367653

SCHEMBL22367653

OC1CC(n2cnc3c(NC(c4ccccc4)(c4ccccc4)c4ccccc4)ncnc32)OC1COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMP P19971 5/20 0.65
SLC29A1 Q99808 1/20 0.46
HIF1A Q16665 1/20 0.45
POLB P06746 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
ENPP1 P22413 1/20 0.43
P2RY1 P47900 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
SCHEMBL6905301 0.94 TYMP (0.58) TYMPSLC29A1HIF1AADORA3
SCHEMBL2239678 0.94 TYMP (0.58) TYMPSLC29A1HIF1AADORA3
SCHEMBL4826069 0.94 TYMP (0.58) TYMPSLC29A1HIF1AADORA3
SCHEMBL532674 0.94 TYMP (0.58) TYMPSLC29A1HIF1AADORA3
SCHEMBL735543 0.89 TYMP (0.64) TYMPSLC29A1HIF1AADORA3
SCHEMBL29720432 0.86 TYMP (0.63) TYMPSLC29A1POLBADORA3P2RY1
SCHEMBL11040442 0.86 TYMP (0.63) TYMPSLC29A1POLBADORA3P2RY1
SCHEMBL7065756 0.85 TYMP (0.71) TYMPHIF1APOLBADORA3ENPP1
SCHEMBL7065752 0.85 TYMP (0.71) TYMPHIF1APOLBADORA3ENPP1
SCHEMBL22392968 0.84 TYMP (0.74) TYMPSLC29A1

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
EP-3700536-A1 COMPOSITIONS AND METHODS OF MODULATING THE IMMUNE RESPONSE BY ACTIVATING ALPHA PROTEIN KINASE 1 Shanghai Yao Yuan Biotechnology Co., Ltd. (CN) 2020-09-02 EP disclosed