SCHEMBL7816005

SCHEMBL7816005

CC(=O)c1nc2nc(N)[nH]c(=O)c2n1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMS P04818 7/20 0.56
PNP P00491 5/20 0.53
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
BRD4 O60885 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
BRAF P15056 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
SCHEMBL7812589 0.88 PNP (0.53) TYMSPNPMEN1KMT2ATLR7
SCHEMBL7806221 0.86 TYMS (0.59) TYMSPNPMEN1KMT2ATLR7
SCHEMBL7813638 0.85 TYMS (0.60) TYMSPNPMEN1KMT2ABRAF
SCHEMBL8165318 0.81 PNP (0.70) TYMSPNPMEN1KMT2ATLR7
SCHEMBL2127107 0.80 PNP (0.57) TYMSPNPTLR7ADORA3
SCHEMBL3672658 0.73 PNP (0.61) TYMSPNPMEN1KMT2ATLR7
SCHEMBL8177048 0.72 MAPT (0.40) PNPMEN1KMT2A
SCHEMBL2435848 0.72 PNP (0.43) PNPMEN1KMT2A
SCHEMBL1713573 0.71 PNP (0.64) TYMSPNPKMT2ABRD4
Hydrochloric Acid SCHEMBL7773119 0.70 PNP (0.63) TYMSPNPKMT2ABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728757-B1 Process for producing purine derivatives AJINOMOTO KK (JP) 2001-10-04 EP disclosed
US-6245910-B1 Process for producing purine derivatives AJINOMOTO CO., INC. (JP) 2001-06-12 US disclosed
WO-2000006573-A1 ANTIVIRAL ALKYL SUBSTITUTED PURINE DERIVATIVES AND THEIR PREPARATION Kemijski inštitut (SI) 2000-02-10 WO disclosed
EP-0827960-A1 Process for producing purine derivatives Ajinomoto Co., Inc. (JP) 1998-03-11 EP disclosed
EP-0728757-A1 Process for producing purine derivatives Ajinomoto Co., Inc. (JP) 1996-08-28 EP disclosed