SCHEMBL14622246

SCHEMBL14622246

CC(C)NC(=O)[C@H]1CCC[C@H]1Nc1nc(Nc2ccc(C(=O)NCC3CCNC3)cc2)ncc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 7/20 0.52
PTK2B Q14289 3/20 0.52
CHEK1 O14757 4/20 0.47
FLT3 P36888 9/20 0.46
KIT P10721 3/20 0.46
KCNH2 Q12809 1/20 0.44

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
SCHEMBL12235235 0.88 PTK2 (0.52) PTK2PTK2BCHEK1FLT3KIT
SCHEMBL12234153 0.87 PTK2 (0.52) PTK2PTK2BCHEK1FLT3KIT
SCHEMBL12235238 0.87 PTK2 (0.51) PTK2PTK2BFLT3KITKCNH2
SCHEMBL14621367 0.87 PTK2 (0.51) PTK2PTK2BFLT3KITKCNH2
SCHEMBL2322143 0.86 PTK2 (0.65) PTK2PTK2BCHEK1FLT3KIT
SCHEMBL2322148 0.86 PTK2 (0.65) PTK2PTK2BCHEK1FLT3KIT
SCHEMBL10149253 0.83 PTK2 (0.57) PTK2PTK2BFLT3KITKCNH2
SCHEMBL2526061 0.83 PTK2 (0.57) PTK2PTK2BFLT3KITKCNH2
SCHEMBL579158 0.83 PTK2 (0.57) PTK2PTK2BFLT3KITKCNH2
SCHEMBL12235237 0.83 PTK2 (0.55) PTK2PTK2BFLT3KITKCNH2

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
WO-2007003596-A1 2,4-DIAMINO-PYRIMIDINES USED AS AURORA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-11 WO disclosed