SCHEMBL3701473

SCHEMBL3701473

NCCNc1nc(Nc2ccc(C(N)=O)cc2)ncc1C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.72
CHEK1 O14757 2/20 0.72
PTK2 Q05397 12/20 0.64
STK17A Q9UEE5 1/20 0.63
KIT P10721 2/20 0.62
JAK3 P52333 2/20 0.58
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57

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
SCHEMBL1916486 0.94 CHEK1 (0.83) FLT3CHEK1PTK2STK17AKIT
SCHEMBL3283901 0.89 FLT3 (0.70) FLT3CHEK1PTK2STK17AKIT
SCHEMBL3283599 0.87 FLT3 (0.70) FLT3CHEK1PTK2STK17AKIT
SCHEMBL1916813 0.86 PTK2 (0.70) FLT3CHEK1PTK2
SCHEMBL3285524 0.86 FLT3 (0.71) FLT3CHEK1PTK2STK17AKIT
SCHEMBL1917534 0.85 FLT3 (0.64) FLT3CHEK1PTK2KIT
SCHEMBL3284837 0.85 PTK2 (0.62) FLT3CHEK1PTK2KITJAK3
SCHEMBL28242860 0.84 FLT3 (0.75) FLT3CHEK1PTK2KITJAK3
SCHEMBL3290067 0.83 FLT3 (0.62) FLT3CHEK1PTK2KIT
SCHEMBL1916456 0.83 CHEK1 (0.62) FLT3CHEK1PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2090571-B1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-16 EP disclosed
EP-2090571-A1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-08-19 EP disclosed
EP-1438053-B1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA (DE) 2008-09-10 EP disclosed
EP-1438053-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-21 EP disclosed
WO-2003032997-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-24 WO disclosed