Purine

Purine

SCHEMBL289483

O=C(Nc1ccccc1)Nc1ccnc(Cl)c1.c1ncc2[nH]cnc2n1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 7/20 0.55
SMARCA4 P51532 6/20 0.55
CYP3A4 P08684 8/20 0.46
CYP3A5 P20815 5/20 0.46
CNR1 P21554 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
KDR P35968 1/20 0.41

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 SCHEMBL289481 0.84 SMARCA2 (0.56) SMARCA2SMARCA4CYP3A4CYP3A5CNR1
SCHEMBL119685 0.80 SMARCA2 (0.79) SMARCA2SMARCA4CNR1TAAR1MEN1
Phenylurea SCHEMBL8780484 0.74 SMARCA2 (0.68) SMARCA2SMARCA4CNR1TAAR1MEN1
Diphenylamine SCHEMBL27844403 0.73 CDK2 (0.59) CYP3A4MEN1KMT2A
SCHEMBL22125200 0.73 SMARCA2 (1.00) SMARCA2SMARCA4TAAR1MEN1KMT2A
SCHEMBL9599834 0.73 SMARCA2 (0.86) SMARCA2SMARCA4CNR1MEN1KMT2A
Benzoic Acid SCHEMBL28391615 0.71 BRD4 (0.45)
Nitric Acid SCHEMBL28189380 0.71 SMARCA2 (0.63) SMARCA2SMARCA4CNR1TAAR1MEN1
Purine SCHEMBL29465224 0.70 ALDH1A1 (0.39) CYP3A4
Purine SCHEMBL28164598 0.70 ALDH1A1 (0.44) CYP3A4

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