SCHEMBL4232013

SCHEMBL4232013

CCOc1cc(CN2CCC(C3CC(N(N)c4nc(OC)c5cc(OC)c(OC)cc5n4)CCN3c3nc(OC)c4cc(OC)c(OC)cc4n3)CC2)cc(OCC)c1F

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.42
SSTR5 P35346 4/20 0.38
EHMT2 Q96KQ7 12/20 0.38
NSD2 O96028 2/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL4381979 0.93 SLC2A1 (0.41) SLC2A1SSTR5EHMT2NSD2
SCHEMBL4237980 0.90 SLC2A1 (0.42) SLC2A1SSTR5EHMT2NSD2
SCHEMBL4232008 0.78 SLC2A1 (0.44) SLC2A1SSTR5EHMT2NSD2KCNH2
Hydrochloric Acid SCHEMBL4235380 0.77 SSTR5 (0.37) SSTR5KCNH2
SCHEMBL4232006 0.75 SLC2A1 (0.41) SLC2A1SSTR5EHMT2NSD2KCNH2
Hydrochloric Acid SCHEMBL4373343 0.75 SSTR5 (0.40) SLC2A1SSTR5EHMT2KCNH2
SCHEMBL4237977 0.74 SSTR5 (0.39) SSTR5KCNH2
Hydrochloric Acid SCHEMBL4232638 0.73 SSTR5 (0.40) SLC2A1SSTR5KCNH2
Hydrochloric Acid SCHEMBL4231165 0.72 SSTR5 (0.37) SLC2A1SSTR5EHMT2NSD2KCNH2
SCHEMBL3772048 0.72 SSTR5 (0.54) SSTR5EHMT2NSD2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
CN-101405284-A Pyrimidine, quinazoline, pteridine and derivatives HOFFMANN LA ROCHE (CH) 2009-04-08 CN disclosed