SCHEMBL578671

SCHEMBL578671

CC(C)NC(=O)C1CCCC1Nc1nc(Nc2ccc(C(=O)N(C)C3CCN(C)CC3)cc2)ncc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 12/20 0.57
PTK2B Q14289 9/20 0.54
KIT P10721 4/20 0.51
FLT3 P36888 4/20 0.51
AURKA O14965 1/20 0.51
EGFR P00533 1/20 0.51
NTRK1 P04629 1/20 0.51
CDK1 P06493 1/20 0.51
IGF1R P08069 1/20 0.51
EPHA1 P21709 1/20 0.51
CDK2 P24941 1/20 0.51
BMX P51813 1/20 0.51
JAK3 P52333 1/20 0.51
CDK6 Q00534 1/20 0.51
PAK1 Q13153 1/20 0.51
ALK Q9UM73 1/20 0.51
SYK P43405 2/20 0.49
KCNH2 Q12809 1/20 0.49
ULK1 O75385 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
SCHEMBL12174633 1.00 PTK2 (0.57) PTK2PTK2BKITFLT3AURKA
SCHEMBL578672 1.00 PTK2 (0.57) PTK2PTK2BKITFLT3AURKA
SCHEMBL578714 1.00 PTK2 (0.57) PTK2PTK2BKITFLT3AURKA
SCHEMBL13808220 0.98 PTK2 (0.55) PTK2PTK2BKITFLT3AURKA
SCHEMBL4280145 0.96 PTK2 (0.54) PTK2PTK2BKITFLT3AURKA
SCHEMBL4280140 0.96 PTK2 (0.54) PTK2PTK2BKITFLT3AURKA
SCHEMBL578783 0.96 PTK2 (0.55) PTK2PTK2BKITFLT3AURKA
SCHEMBL578782 0.96 PTK2 (0.55) PTK2PTK2BKITFLT3AURKA
SCHEMBL4288959 0.94 PTK2 (0.56) PTK2PTK2BKITFLT3AURKA
SCHEMBL4288963 0.94 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 3 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
US-20210213037-A1 METHODS FOR TREATING FIBROSIS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2021-07-15 US disclosed
EP-2027107-B1 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-02-15 EP disclosed