SCHEMBL3155342

SCHEMBL3155342

CCCS(=O)(=O)N(C)CCCNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 18/20 0.62
PTK2 Q05397 16/20 0.61
AURKA O14965 2/20 0.61
BRD4 O60885 1/20 0.61
GABRA1 P14867 1/20 0.61
TMEM97 Q5BJF2 1/20 0.61
FLT3 P36888 3/20 0.60
CDK1 P06493 2/20 0.60
CDK7 P50613 2/20 0.60
PLK4 O00444 1/20 0.60
PDPK1 O15530 1/20 0.60
DAPK3 O43293 1/20 0.60
JAK2 O60674 1/20 0.60
ROCK2 O75116 1/20 0.60
STK16 O75716 1/20 0.60
PRKD3 O94806 1/20 0.60
MAP4K4 O95819 1/20 0.60
PAK4 O96013 1/20 0.60
CHEK2 O96017 1/20 0.60
NTRK1 P04629 1/20 0.60

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
SCHEMBL3147921 0.96 PTK2B (0.65) PTK2BPTK2AURKABRD4GABRA1
SCHEMBL3155037 0.95 PTK2B (0.64) PTK2BPTK2AURKABRD4GABRA1
SCHEMBL5187241 0.94 PTK2B (0.54) PTK2BPTK2AURKABRD4GABRA1
SCHEMBL3151781 0.91 PTK2B (0.69) PTK2BPTK2AURKABRD4GABRA1
SCHEMBL5497870 0.90 PTK2B (0.65) PTK2BPTK2AURKABRD4GABRA1
SCHEMBL5495120 0.89 PTK2B (0.63) PTK2BPTK2AURKABRD4GABRA1
SCHEMBL5498691 0.88 PTK2B (0.70) PTK2BPTK2AURKABRD4GABRA1
SCHEMBL5501572 0.87 PTK2B (0.68) PTK2BPTK2AURKABRD4GABRA1
SCHEMBL3160071 0.86 PTK2B (0.65) PTK2BPTK2AURKABRD4GABRA1
SCHEMBL3147373 0.86 PTK2B (0.71) PTK2BPTK2AURKABRD4GABRA1

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
EP-1625121-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2010-02-24 EP disclosed