SCHEMBL578718

SCHEMBL578718

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 12/20 0.60
PTK2B Q14289 9/20 0.56
KIT P10721 5/20 0.54
FLT3 P36888 5/20 0.54
AURKA O14965 1/20 0.54
EGFR P00533 1/20 0.54
NTRK1 P04629 1/20 0.54
CDK1 P06493 1/20 0.54
IGF1R P08069 1/20 0.54
EPHA1 P21709 1/20 0.54
CDK2 P24941 1/20 0.54
BMX P51813 1/20 0.54
JAK3 P52333 1/20 0.54
CDK6 Q00534 1/20 0.54
PAK1 Q13153 1/20 0.54
ALK Q9UM73 1/20 0.54
SYK P43405 2/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL579107 0.94 PTK2 (0.60) PTK2PTK2BKITFLT3AURKA
SCHEMBL12234973 0.93 PTK2 (0.61) PTK2PTK2BKITFLT3AURKA
SCHEMBL578957 0.93 PTK2 (0.59) PTK2PTK2BKITFLT3AURKA
SCHEMBL13808205 0.93 PTK2 (0.59) PTK2PTK2BKITFLT3AURKA
SCHEMBL578925 0.92 PTK2 (0.58) PTK2PTK2BKITFLT3AURKA
SCHEMBL2322578 0.92 PTK2 (0.58) PTK2PTK2BKITFLT3AURKA
SCHEMBL2320184 0.92 PTK2 (0.58) PTK2PTK2BKITFLT3AURKA
SCHEMBL13808182 0.92 PTK2 (0.58) PTK2PTK2BKITFLT3AURKA
SCHEMBL13808089 0.92 PTK2 (0.58) PTK2PTK2BKITFLT3AURKA
SCHEMBL13817428 0.92 PTK2 (0.56) PTK2PTK2BKITFLT3AURKA

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-2027107-B1 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-02-15 EP disclosed