SCHEMBL10508294

SCHEMBL10508294

Nc1nc2c(nc(Br)n2Cc2ccc(Cl)c(Cl)c2)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYMS P04818 3/20 0.56
PNP P00491 6/20 0.55
HSP90B1 P14625 2/20 0.51
TRAP1 Q12931 2/20 0.51
XDH P47989 1/20 0.49
HPRT1 P00492 4/20 0.45
NPC1 O15118 1/20 0.43
JAK2 O60674 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 1/20 0.42
TLR7 Q9NYK1 1/20 0.42

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
SCHEMBL10506664 0.88 PNP (0.60) TYMSPNPXDHHPRT1
SCHEMBL10506827 0.85 PNP (0.60) TYMSPNPXDHHPRT1TLR7
SCHEMBL10506494 0.84 PNP (0.58) TYMSPNPXDHHPRT1
SCHEMBL10506260 0.84 PNP (0.58) TYMSPNPHPRT1
SCHEMBL2128391 0.84 PNP (0.76) TYMSPNPXDHHPRT1TLR7
SCHEMBL10506462 0.81 PNP (0.58) TYMSPNPXDHHPRT1TLR7
SCHEMBL3395173 0.81 TRAP1 (0.58) TYMSHSP90B1TRAP1NPC1JAK2
SCHEMBL10507177 0.78 PNP (0.54) TYMSPNPXDHHPRT1KMT2A
SCHEMBL8145519 0.78 PNP (0.72) TYMSPNPXDH
Hydrochloric Acid SCHEMBL17186455 0.77 PNP (0.70) TYMSPNPXDH

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0156559-B1 8-SUBSTITUTED GUANINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1989-08-02 EP claimed
US-4748177-A Guanine derivatives WARNER-LAMBERT COMPANY (US) 1988-05-31 US claimed
EP-0156559-A2 8-Substituted guanine derivatives WARNER-LAMBERT COMPANY (US) 1985-10-02 EP claimed
US-4874862-A Process for preparing guanine derivatives WARNER-LAMBERT COMPANY (US) 1989-10-17 US disclosed
EP-0156559-B1 8-SUBSTITUTED GUANINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1989-08-02 EP disclosed
US-4748177-A Guanine derivatives WARNER-LAMBERT COMPANY (US) 1988-05-31 US disclosed
EP-0156559-A2 8-Substituted guanine derivatives WARNER-LAMBERT COMPANY (US) 1985-10-02 EP disclosed