SCHEMBL4381970

SCHEMBL4381970

CCOc1cc(CN2CCC(N(c3nc(OC)c4cc(OC)c(OC)cc4n3)C3CCN(Nc4nc(OC)c5cc(OC)c(OC)cc5n4)CC3)CC2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 10/20 0.43
HRH1 P35367 3/20 0.43
SLC2A1 P11166 1/20 0.42
KDM1A O60341 4/20 0.41
RCOR1 Q9UKL0 4/20 0.41
NSD2 O96028 2/20 0.40
HTR2B P41595 1/20 0.38
EHMT2 Q96KQ7 5/20 0.38

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
SCHEMBL4232006 0.92 SLC2A1 (0.41) SSTR5SLC2A1KDM1ARCOR1NSD2
SCHEMBL4237974 0.91 SLC2A1 (0.43) SSTR5HRH1SLC2A1KDM1ARCOR1
SCHEMBL3782357 0.83 SSTR5 (0.57) SSTR5HRH1KDM1ARCOR1NSD2
SCHEMBL4381976 0.82 SLC2A1 (0.44) SSTR5HRH1SLC2A1KDM1ARCOR1
SCHEMBL4381979 0.77 SLC2A1 (0.41) SSTR5HRH1SLC2A1NSD2EHMT2
SCHEMBL3785396 0.74 SSTR5 (0.58) SSTR5HRH1KDM1ARCOR1NSD2
SCHEMBL3772048 0.74 SSTR5 (0.54) SSTR5HRH1KDM1ARCOR1NSD2
SCHEMBL4232008 0.73 SLC2A1 (0.44) SSTR5SLC2A1KDM1ARCOR1NSD2
SCHEMBL4237976 0.73 SLC2A1 (0.46) SSTR5HRH1SLC2A1KDM1ARCOR1
SCHEMBL3781313 0.72 EHMT2 (0.57) SSTR5HRH1KDM1ARCOR1NSD2

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 1 patent. 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