SCHEMBL288236

SCHEMBL288236

Nc1nc(Cc2cccc(O)c2)nc2nc[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
DHFR P00374 1/20 0.47
ADORA3 P0DMS8 2/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
PDPK1 O15530 1/20 0.44
GDA Q9Y2T3 1/20 0.44
PIN1 Q13526 5/20 0.44
MGMT P16455 4/20 0.44
CDK2 P24941 2/20 0.42
CDK1 P06493 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 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
SCHEMBL448639 0.85 CDC7 (0.47) PDE4APDE4BPDE4CPDE4DPDPK1
SCHEMBL104931 0.84 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL29557469 0.84 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DADORA3
Phosphoric Acid SCHEMBL27565804 0.80 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL288235 0.80 ADORA1 (0.51) BRAFDHFRADORA3ADORA2AADORA1
SCHEMBL28460506 0.78 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDPK1
SCHEMBL13268695 0.77 ENPP1 (0.46) BRAFDHFRADORA3PDPK1GDA
Adenine SCHEMBL7891002 0.77 PI4KA (0.56) PDE4APDE4BPDE4CPDE4DPDPK1
SCHEMBL28104074 0.75 PDPK1 (0.45) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL30338256 0.75 PDPK1 (0.42) BRAFPDE4APDE4BPDE4CPDE4D

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