SCHEMBL6212352

SCHEMBL6212352

COc1cnc(Nc2ccc3c(c2)CC(=O)N3)nc1NCCc1ccccn1.COc1cnc(Nc2ccc3c(c2)CC(=O)N3)nc1NCc1ccccn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 16/20 0.72
PTK2B Q14289 14/20 0.70
BCL6 P41182 2/20 0.49
AURKA O14965 2/20 0.48
INSR P06213 2/20 0.48
KDR P35968 2/20 0.48
AURKB Q96GD4 2/20 0.48
PLK4 O00444 1/20 0.48
PDPK1 O15530 1/20 0.48
DAPK3 O43293 1/20 0.48
JAK2 O60674 1/20 0.48
ROCK2 O75116 1/20 0.48
STK16 O75716 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
PAK4 O96013 1/20 0.48
CHEK2 O96017 1/20 0.48
NTRK1 P04629 1/20 0.48
PRKCG P05129 1/20 0.48
LCK P06239 1/20 0.48

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
SCHEMBL6212232 0.97 PTK2 (0.67) PTK2PTK2BBCL6AURKAINSR
SCHEMBL6211063 0.95 PTK2 (0.79) PTK2PTK2BBCL6AURKAINSR
SCHEMBL6211698 0.84 PTK2 (0.84) PTK2PTK2BBCL6AURKAINSR
SCHEMBL6211093 0.84 PTK2 (0.84) PTK2PTK2BBCL6AURKAINSR
SCHEMBL6211546 0.84 PTK2 (0.67) PTK2PTK2BBCL6AURKAINSR
SCHEMBL6213649 0.84 PTK2 (1.00) PTK2PTK2BBCL6AURKAINSR
SCHEMBL6209171 0.83 PTK2 (0.80) PTK2PTK2BBCL6AURKAINSR
SCHEMBL6211830 0.83 PTK2 (1.00) PTK2PTK2BBCL6AURKAINSR
SCHEMBL6214944 0.83 PTK2 (1.00) PTK2PTK2BBCL6AURKAINSR
SCHEMBL3163641 0.80 PTK2 (1.00) PTK2PTK2BBCL6AURKAINSR

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-1578732-A2 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2005-09-28 EP disclosed
WO-2004056786-A2 PYRIMIDINE DERIVATES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed