Purine

Purine

SCHEMBL289481

O=C(Nc1ccccc1)Nc1ccnc(Cl)c1.c1ncc2nc[nH]c2n1

nearest known ligand 0.56

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 9/20 0.56
SMARCA4 P51532 8/20 0.56
CNR1 P21554 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDR P35968 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP3A5 P20815 2/20 0.42
CNR2 P34972 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
IMPDH2 P12268 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
Purine SCHEMBL289483 0.84 SMARCA2 (0.55) SMARCA2SMARCA4CNR1TAAR1MEN1
SCHEMBL119685 0.81 SMARCA2 (0.79) SMARCA2SMARCA4CNR1TAAR1MEN1
Phenylurea SCHEMBL8780484 0.77 SMARCA2 (0.68) SMARCA2SMARCA4CNR1TAAR1MEN1
SCHEMBL22125200 0.74 SMARCA2 (1.00) SMARCA2SMARCA4TAAR1MEN1KMT2A
SCHEMBL9599834 0.74 SMARCA2 (0.86) SMARCA2SMARCA4CNR1MEN1KMT2A
Nitric Acid SCHEMBL28189380 0.72 SMARCA2 (0.63) SMARCA2SMARCA4CNR1TAAR1MEN1
SCHEMBL22154745 0.71 DDX3X (0.68) SMARCA2SMARCA4MEN1KMT2AKDR
SCHEMBL22125215 0.70 SMARCA2 (0.69) SMARCA2SMARCA4CNR1
SCHEMBL9410880 0.70 MEN1 (0.72) SMARCA2SMARCA4MEN1KMT2AKDR
SCHEMBL11047103 0.70 SMARCA2 (0.79) SMARCA2SMARCA4CNR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120137390-A1 MATERIALS AND METHODS FOR REGENERATION AND TRANSFORMATION OF TREES ARBORGEN INC. 2012-05-31 US disclosed
EP-2427047-A2 MATERIALS AND METHODS FOR REGENERATION AND TRANSFORMATION OF TREES ArborGen Inc. (US) 2012-03-14 EP disclosed
WO-2010129737-A2 MATERIALS AND METHODS FOR REGENERATION AND TRANSFORMATION OF TREES ARBORGEN, LLC (US) 2010-11-11 WO disclosed