SCHEMBL3159609

SCHEMBL3159609

O=C1Cc2cc(Nc3ncc(C(F)(F)F)c(NC(CO)CO)n3)ccc2N1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 16/20 0.77
PTK2 Q05397 13/20 0.68
ULK1 O75385 5/20 0.59
AURKA O14965 2/20 0.57
BRD4 O60885 1/20 0.57
GABRA1 P14867 1/20 0.56
TMEM97 Q5BJF2 1/20 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

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
SCHEMBL3155102 0.95 PTK2B (0.72) PTK2BPTK2ULK1AURKABRD4
SCHEMBL3164874 0.95 PTK2B (0.72) PTK2BPTK2ULK1AURKABRD4
SCHEMBL3151352 0.95 PTK2B (0.72) PTK2BPTK2ULK1AURKABRD4
SCHEMBL3160353 0.93 PTK2B (0.69) PTK2BPTK2ULK1AURKABRD4
SCHEMBL3164158 0.93 PTK2B (0.69) PTK2BPTK2ULK1AURKABRD4
SCHEMBL3164168 0.93 PTK2B (0.69) PTK2BPTK2ULK1AURKABRD4
SCHEMBL6111621 0.92 PTK2B (0.72) PTK2BPTK2ULK1AURKABRD4
SCHEMBL5493640 0.92 PTK2B (0.72) PTK2BPTK2ULK1AURKABRD4
SCHEMBL3160260 0.91 PTK2B (0.74) PTK2BPTK2ULK1AURKABRD4
SCHEMBL3160248 0.91 PTK2B (0.74) PTK2BPTK2ULK1AURKABRD4

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