SCHEMBL4945604

SCHEMBL4945604

CCCCCCc1ccc(N)c(-c2nc(N)c3ncn(C4CC(O)C(CCP(=O)(O)O)O4)c3n2)c1O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.44
PNP P00491 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3A Q14432 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ADORA2A P29274 1/20 0.40
P2RX3 P56373 1/20 0.39
POLB P06746 2/20 0.39
POLA1 P09884 1/20 0.39
ENPP1 P22413 1/20 0.37
P2RY1 P47900 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
SCHEMBL2158959 0.81 POLA1 (0.43) NT5EPNPLMNATP53HTT
SCHEMBL4083226 0.72 FGFR1 (0.48) POLBPOLA1
SCHEMBL12396112 0.71 POLA1 (0.43) NT5EPNPLMNATP53HTT
SCHEMBL2159905 0.70 PNP (0.52) PNPLMNATP53HTTPDE4D
SCHEMBL2159884 0.70 PNP (0.52) PNPLMNATP53HTTPDE4D
SCHEMBL12396110 0.70 PNP (0.52) PNPLMNATP53HTTPDE4D
SCHEMBL10351554 0.67 NT5E (0.69) NT5EPNPLMNATP53HTT
Phosphoric Acid SCHEMBL4820778 0.66 PNP (0.72) NT5EPNPLMNATP53HTT
SCHEMBL29808596 0.64 NT5E (0.72) NT5EPNPLMNATP53HTT
SCHEMBL17117807 0.64 NT5E (0.72) NT5EPNPLMNATP53HTT

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-1990054-A1 Polymerase inhibitors and their use in treating tumours Freie Universität Berlin (DE) 2008-11-12 EP claimed
EP-1990054-A1 Polymerase inhibitors and their use in treating tumours Freie Universität Berlin (DE) 2008-11-12 EP disclosed