SCHEMBL6255244

SCHEMBL6255244

Brc1cnc(Nc2ccc3[nH]ncc3c2)nc1NCCc1ccccn1.Brc1cnc(Nc2ccc3[nH]ncc3c2)nc1NCc1ccccn1.Brc1cnc(Nc2ccc3cn[nH]c3c2)nc1NCCc1ccccn1.Brc1cnc(Nc2cccc3[nH]ccc23)nc1NCc1ccccn1.c1ccc(CNc2ccnc(Nc3ccc4[nH]ccc4c3)n2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.47
PTK2B Q14289 2/20 0.47
PAK4 O96013 14/20 0.42
IGF1R P08069 5/20 0.39
KDR P35968 4/20 0.39
FGFR1 P11362 3/20 0.39
PLK4 O00444 2/20 0.39
CHEK1 O14757 2/20 0.39
MAPK13 O15264 2/20 0.39
PDPK1 O15530 2/20 0.39
DAPK3 O43293 2/20 0.39
DYRK3 O43781 2/20 0.39
JAK2 O60674 2/20 0.39
ROCK2 O75116 2/20 0.39
PRKD3 O94806 2/20 0.39
MAP4K4 O95819 2/20 0.39
CHEK2 O96017 2/20 0.39
EGFR P00533 2/20 0.39
NTRK1 P04629 2/20 0.39
PRKCG P05129 2/20 0.39

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
SCHEMBL6260019 0.86 PTK2 (0.52) PTK2PTK2BPAK4IGF1RKDR
SCHEMBL6211636 0.86 PTK2 (0.44) PTK2PTK2BPAK4IGF1RKDR
SCHEMBL6275030 0.80 PTK2 (0.47) PTK2PTK2BIGF1RKDRFGFR1
SCHEMBL6209954 0.79 IGF1R (0.51) PTK2PTK2BIGF1RKDRFGFR1
SCHEMBL6209471 0.79 IGF1R (0.47) PTK2PTK2BIGF1RKDRFGFR1
SCHEMBL6211871 0.79 PTK2 (0.53) PTK2PTK2BPAK4IGF1RKDR
SCHEMBL6210226 0.79 PTK2 (0.61) PTK2PTK2BPAK4IGF1RKDR
SCHEMBL6209186 0.77 PTK2 (0.64) PTK2PTK2BPAK4IGF1RKDR
SCHEMBL6212411 0.77 PTK2 (0.50) PTK2PTK2BIGF1RKDRFGFR1
SCHEMBL6212988 0.77 PTK2 (0.75) PTK2PTK2BIGF1RKDRFGFR1

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