SCHEMBL16252063

SCHEMBL16252063

Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OCc3cn(CCCCC(=O)NCc4ccc(-c5ccccc5)cc4)nn3)C(O)C2O)c(=O)[nH]1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FUT6 P51993 4/20 0.77
KRAS P01116 10/20 0.58
HINT1 P49773 1/20 0.55
TGM2 P21980 1/20 0.54
FUT5 Q11128 1/20 0.50
P2RY2 P41231 1/20 0.49
P2RY4 P51582 1/20 0.49
P2RY6 Q15077 1/20 0.49
NT5E P21589 1/20 0.49

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
SCHEMBL21067722 0.76 TGM2 (0.85) KRASHINT1TGM2FUT5P2RY2
SCHEMBL29429843 0.76 TGM2 (0.85) KRASHINT1TGM2FUT5P2RY2
SCHEMBL18769114 0.76 TGM2 (0.85) KRASHINT1TGM2FUT5P2RY2
SCHEMBL851357 0.76 TGM2 (0.85) KRASHINT1TGM2FUT5P2RY2
SCHEMBL16112808 0.75 KRAS (0.86) KRASHINT1TGM2FUT5P2RY2
SCHEMBL16112811 0.75 KRAS (0.86) KRASHINT1TGM2FUT5P2RY2
SCHEMBL17845832 0.75 HINT1 (0.67) KRASHINT1TGM2NT5E
SCHEMBL17539263 0.75 KRAS (0.88) KRASHINT1TGM2FUT5P2RY2
SCHEMBL16113018 0.74 KRAS (1.00) KRASTGM2FUT5P2RY2P2RY4
SCHEMBL16113020 0.74 KRAS (1.00) KRASTGM2FUT5P2RY2P2RY4

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-20140342369-A1 HAPLOID CELLS IMBA - INSTITUT FÜR MOLEKULARE BIOTECHNOLOGIE GMBH (AT) 2014-11-20 US disclosed
US-20140342369-A1 HAPLOID CELLS IMBA - INSTITUT FÜR MOLEKULARE BIOTECHNOLOGIE GMBH (AT) 2014-11-20 US disclosed