SCHEMBL2128394

SCHEMBL2128394

Nc1nc2c(c(=O)[nH]1)NC(Br)N2Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 2/20 0.49
PNP P00491 9/20 0.46
TYMS P04818 1/20 0.44
NOS1 P29475 1/20 0.40
QTRT1 Q9BXR0 1/20 0.38
XDH P47989 2/20 0.38

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
SCHEMBL10508430 0.89 HPRT1 (0.48) HPRT1PNPTYMSXDH
SCHEMBL10506834 0.89 HPRT1 (0.45) HPRT1PNPTYMSXDH
SCHEMBL10509001 0.88 HPRT1 (0.47) HPRT1PNPTYMSNOS1
SCHEMBL10509301 0.88 HPRT1 (0.50) HPRT1PNPTYMSXDH
SCHEMBL9798211 0.87 HPRT1 (0.45) HPRT1PNP
SCHEMBL9503635 0.86 PNP (0.47) HPRT1PNPTYMSNOS1QTRT1
SCHEMBL10507662 0.85 HPRT1 (0.50) HPRT1PNPTYMSQTRT1XDH
SCHEMBL10508309 0.85 TYMS (0.49) HPRT1PNPTYMSXDH
SCHEMBL10507190 0.84 HPRT1 (0.47) HPRT1PNPTYMSXDH
SCHEMBL9798158 0.81 PNP (0.50) HPRT1PNPNOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012145794-A1 METHOD OF DETERMINING RESPONSE TO TREATMENT WITH IMMUNOMODULATORY COMPOSITION THE UNIVERSITY OF SYDNEY (AU) 2012-11-01 WO claimed
EP-2443257-A1 METHOD OF DETERMINING RESPONSE TO TREATMENT WITH IMMUNOMODULATORY COMPOSITION The University Of Sydney (AU) 2012-04-25 EP claimed
WO-2011146985-A1 METHOD OF DETERMINING RESPONSE TO TREATMENT WITH IMMUNOMODULATORY COMPOSITION THE UNIVERSITY OF SYDNEY (AU) 2011-12-01 WO claimed
WO-2010144946-A1 METHOD OF DETERMINING RESPONSE TO TREATMENT WITH IMMUNOMODULATORY COMPOSITION THE UNIVERSITY OF SYDNEY (AU) 2010-12-23 WO claimed
US-20100316608-A1 Method of Determining A Response To Treatment With Immunomodulatory Composition WESTERN SYDNEY LOCAL HEALTH DISTRICT (AU) 2010-12-16 US claimed
WO-2012145794-A1 METHOD OF DETERMINING RESPONSE TO TREATMENT WITH IMMUNOMODULATORY COMPOSITION THE UNIVERSITY OF SYDNEY (AU) 2012-11-01 WO disclosed
US-20120183497-A1 Method of Determining Response to Treatment with Immunomodulatory Composition GEORGE JACOB (AU) 2012-07-19 US disclosed
EP-2443257-A1 METHOD OF DETERMINING RESPONSE TO TREATMENT WITH IMMUNOMODULATORY COMPOSITION The University Of Sydney (AU) 2012-04-25 EP disclosed
WO-2011146985-A1 METHOD OF DETERMINING RESPONSE TO TREATMENT WITH IMMUNOMODULATORY COMPOSITION THE UNIVERSITY OF SYDNEY (AU) 2011-12-01 WO disclosed
WO-2010144946-A1 METHOD OF DETERMINING RESPONSE TO TREATMENT WITH IMMUNOMODULATORY COMPOSITION THE UNIVERSITY OF SYDNEY (AU) 2010-12-23 WO disclosed
US-20100316608-A1 Method of Determining A Response To Treatment With Immunomodulatory Composition WESTERN SYDNEY LOCAL HEALTH DISTRICT (AU) 2010-12-16 US disclosed
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