SCHEMBL579000

SCHEMBL579000

CC(C)NC(=O)C1CC(Nc2nc(Nc3ccc(C(=O)N(C)C4CCN(C)CC4)cc3)ncc2C(F)(F)F)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.57
KIT P10721 9/20 0.57
AURKA O14965 2/20 0.57
EGFR P00533 1/20 0.57
NTRK1 P04629 1/20 0.57
CDK1 P06493 1/20 0.57
IGF1R P08069 1/20 0.57
EPHA1 P21709 1/20 0.57
CDK2 P24941 1/20 0.57
BMX P51813 1/20 0.57
JAK3 P52333 1/20 0.57
CDK6 Q00534 1/20 0.57
PAK1 Q13153 1/20 0.57
ALK Q9UM73 1/20 0.57
SYK P43405 2/20 0.52
ULK1 O75385 3/20 0.51
PTK2 Q05397 4/20 0.51
PTK2B Q14289 1/20 0.49
ULK2 Q8IYT8 1/20 0.45
CHEK1 O14757 4/20 0.45

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
SCHEMBL13808141 1.00 FLT3 (0.57) FLT3KITAURKAEGFRNTRK1
SCHEMBL578699 0.95 FLT3 (0.57) FLT3KITAURKAEGFRNTRK1
SCHEMBL578587 0.95 FLT3 (0.57) FLT3KITAURKAEGFRNTRK1
SCHEMBL578593 0.92 FLT3 (0.59) FLT3KITAURKAEGFRNTRK1
SCHEMBL13808170 0.92 FLT3 (0.59) FLT3KITAURKAEGFRNTRK1
SCHEMBL13808163 0.91 FLT3 (0.60) FLT3KITAURKAEGFRNTRK1
SCHEMBL578677 0.91 FLT3 (0.60) FLT3KITAURKAEGFRNTRK1
SCHEMBL4280145 0.90 PTK2 (0.54) FLT3KITAURKAEGFRNTRK1
SCHEMBL4280140 0.90 PTK2 (0.54) FLT3KITAURKAEGFRNTRK1
SCHEMBL13808086 0.90 FLT3 (0.61) FLT3KITAURKAEGFRNTRK1

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