SCHEMBL5498977

SCHEMBL5498977

CCS(=O)(=O)Nc1nc(C)ccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 19/20 0.70
PTK2 Q05397 18/20 0.70
AURKA O14965 2/20 0.66
BRD4 O60885 1/20 0.66
CDK1 P06493 2/20 0.65
CDK7 P50613 2/20 0.65
ULK1 O75385 2/20 0.65
PLK4 O00444 1/20 0.65
PDPK1 O15530 1/20 0.65
DAPK3 O43293 1/20 0.65
JAK2 O60674 1/20 0.65
ROCK2 O75116 1/20 0.65
STK16 O75716 1/20 0.65
PRKD3 O94806 1/20 0.65
MAP4K4 O95819 1/20 0.65
PAK4 O96013 1/20 0.65
CHEK2 O96017 1/20 0.65
NTRK1 P04629 1/20 0.65
PRKCG P05129 1/20 0.65
INSR P06213 1/20 0.65

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
SCHEMBL5497915 0.94 PTK2B (0.72) PTK2BPTK2AURKABRD4CDK1
SCHEMBL13270284 0.90 PTK2 (0.76) PTK2BPTK2AURKABRD4CDK1
SCHEMBL5500783 0.90 PTK2B (0.64) PTK2BPTK2AURKABRD4CDK1
SCHEMBL6112223 0.90 PTK2B (0.68) PTK2BPTK2AURKABRD4CDK1
SCHEMBL6111408 0.89 PTK2B (0.67) PTK2BPTK2AURKABRD4CDK1
SCHEMBL3256229 0.88 PTK2B (0.77) PTK2BPTK2AURKABRD4CDK1
SCHEMBL6111817 0.87 PTK2B (0.69) PTK2BPTK2AURKABRD4CDK1
SCHEMBL5496602 0.86 PTK2B (0.68) PTK2BPTK2AURKABRD4CDK1
SCHEMBL6112240 0.86 PTK2B (0.71) PTK2BPTK2AURKABRD4CDK1
SCHEMBL5498975 0.86 PTK2 (0.82) PTK2BPTK2AURKABRD4CDK1

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