SCHEMBL10510230

SCHEMBL10510230

Nc1nc2c(c(=O)[nH]1)NC(N)N2Cc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYMS P04818 3/20 0.46
HPRT1 P00492 2/20 0.39
BRDT Q58F21 1/20 0.38
NOS1 P29475 1/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MPO P05164 1/20 0.36
TPO P07202 1/20 0.36
PNP P00491 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL10505548 0.89 TYMS (0.46) TYMSHPRT1PNP
SCHEMBL10506793 0.88 TYMS (0.40) TYMSHPRT1SMN1; SMN2PNPALDH1A1
SCHEMBL9503635 0.88 PNP (0.47) TYMSHPRT1NOS1PNP
SCHEMBL10509001 0.87 HPRT1 (0.47) TYMSHPRT1BRDTNOS1HPGD
SCHEMBL10507792 0.85 TYMS (0.50) TYMSHPRT1HPGDPNPALDH1A1
SCHEMBL10508808 0.85 HPRT1 (0.38) TYMSHPRT1NOS1PNPALDH1A1
SCHEMBL9665364 0.81 PNP (0.45) HPRT1NOS1PNPALDH1A1
SCHEMBL10644971 0.81 HPRT1 (0.38) TYMSHPRT1NOS1PNPALDH1A1
SCHEMBL10385954 0.80 PNP (0.44) HPRT1PNPALDH1A1
SCHEMBL10646878 0.77 HPRT1 (0.37) TYMSHPRT1NOS1

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 6 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