SCHEMBL2331535

SCHEMBL2331535

Nc1ncc(-c2cnn(C3CCN(C(=O)O)CC3)c2)c2c(Cl)c(-c3ccccc3)oc12

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 20/20 0.59
TAB1 Q15750 20/20 0.59
AURKB Q96GD4 1/20 0.55

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
SCHEMBL10271428 0.89 MAP3K7 (0.55) MAP3K7TAB1AURKB
SCHEMBL658413 0.89 MAP3K7 (0.55) MAP3K7TAB1AURKB
SCHEMBL10217380 0.85 MAP3K7 (0.66) MAP3K7TAB1AURKB
Hydrochloric Acid SCHEMBL659954 0.84 MAP3K7 (0.65) MAP3K7TAB1AURKB
SCHEMBL2331926 0.80 MAP3K7 (0.65) MAP3K7TAB1
SCHEMBL657459 0.74 MAP3K7 (1.00) MAP3K7TAB1
SCHEMBL659096 0.74 MAP3K7 (0.66) MAP3K7TAB1
SCHEMBL22186594 0.74 MET (0.63) MAP3K7TAB1
Hydrochloric Acid SCHEMBL659849 0.73 MAP3K7 (0.65) MAP3K7TAB1
SCHEMBL22186608 0.73 MET (0.62) MAP3K7TAB1

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-2534156-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2012-12-19 EP disclosed
WO-2011100502-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2011-08-18 WO disclosed