SCHEMBL5499550

SCHEMBL5499550

COc1ccc(NS(C)(=O)=O)cc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F.O=C1COC(CNc2nc(Nc3ccc4c(c3)CC(=O)N4)ncc2C(F)(F)F)CN1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 18/20 0.58
PTK2 Q05397 18/20 0.58
AURKA O14965 2/20 0.56
CDK1 P06493 2/20 0.56
CDK7 P50613 2/20 0.56
PLK4 O00444 1/20 0.56
PDPK1 O15530 1/20 0.56
DAPK3 O43293 1/20 0.56
JAK2 O60674 1/20 0.56
ROCK2 O75116 1/20 0.56
STK16 O75716 1/20 0.56
PRKD3 O94806 1/20 0.56
MAP4K4 O95819 1/20 0.56
PAK4 O96013 1/20 0.56
CHEK2 O96017 1/20 0.56
NTRK1 P04629 1/20 0.56
PRKCG P05129 1/20 0.56
INSR P06213 1/20 0.56
LCK P06239 1/20 0.56
FYN P06241 1/20 0.56

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
SCHEMBL5499554 0.91 PTK2B (0.52) PTK2BPTK2AURKACDK1CDK7
SCHEMBL3154674 0.90 PTK2B (0.70) PTK2BPTK2AURKACDK1CDK7
SCHEMBL3155042 0.86 PTK2B (0.67) PTK2BPTK2AURKACDK1CDK7
SCHEMBL5185860 0.85 PTK2 (0.62) PTK2BPTK2AURKACDK1CDK7
SCHEMBL3160254 0.83 PTK2B (0.73) PTK2BPTK2AURKACDK1CDK7
SCHEMBL3151722 0.81 PTK2B (0.73) PTK2BPTK2AURKACDK1CDK7
SCHEMBL3146640 0.80 PTK2 (0.76) PTK2BPTK2AURKACDK1CDK7
SCHEMBL5185869 0.78 PTK2 (0.65) PTK2BPTK2AURKACDK1CDK7
SCHEMBL5186497 0.78 PTK2 (0.54) PTK2BPTK2AURKACDK1CDK7
SCHEMBL3160493 0.78 PTK2B (0.75) PTK2BPTK2AURKACDK1CDK7

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-1751143-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Incorporated (US) 2007-02-14 EP disclosed
WO-2005111023-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed