SCHEMBL12440262

SCHEMBL12440262

CNC(=O)CNC(=O)C1CCC[C@H]1Nc1nc(Nc2ccc(C(=O)N(C)C3CCN(C)CC3)cc2)ncc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 12/20 0.55
PTK2B Q14289 9/20 0.51
FLT3 P36888 4/20 0.48
KIT P10721 2/20 0.48
AURKA O14965 1/20 0.48
EGFR P00533 1/20 0.48
NTRK1 P04629 1/20 0.48
CDK1 P06493 1/20 0.48
IGF1R P08069 1/20 0.48
EPHA1 P21709 1/20 0.48
CDK2 P24941 1/20 0.48
BMX P51813 1/20 0.48
JAK3 P52333 1/20 0.48
CDK6 Q00534 1/20 0.48
PAK1 Q13153 1/20 0.48
ALK Q9UM73 1/20 0.48
KCNH2 Q12809 1/20 0.46
SYK P43405 2/20 0.46
CHEK1 O14757 1/20 0.43

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
SCHEMBL578848 1.00 PTK2 (0.55) PTK2PTK2BFLT3KITAURKA
SCHEMBL13808262 0.92 PTK2 (0.58) PTK2PTK2BFLT3KITAURKA
SCHEMBL13808264 0.92 PTK2 (0.56) PTK2PTK2BFLT3KITAURKA
SCHEMBL578925 0.92 PTK2 (0.58) PTK2PTK2BFLT3KITAURKA
SCHEMBL579013 0.92 PTK2 (0.60) PTK2PTK2BFLT3KITAURKA
SCHEMBL579014 0.92 PTK2 (0.60) PTK2PTK2BFLT3KITAURKA
SCHEMBL578904 0.91 PTK2 (0.57) PTK2PTK2BFLT3KITAURKA
SCHEMBL579202 0.91 PTK2 (0.56) PTK2PTK2BFLT3KITAURKA
SCHEMBL579144 0.90 PTK2 (0.57) PTK2PTK2BFLT3KITAURKA
SCHEMBL579114 0.90 PTK2 (0.57) PTK2PTK2BFLT3KITAURKA

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-2357181-A1 2,4-Diaminopyrimidines as inhibitors of cell cycle kinases Boehringer Ingelheim International GmbH (DE) 2011-08-17 EP disclosed