SCHEMBL7208036

SCHEMBL7208036

FC(F)(F)c1cc(Nc2nc(Cl)nc3nc[nH]c23)cc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.57
XDH P47989 1/20 0.54
TNNI3K Q59H18 1/20 0.50
TMIGD3 P0DMS9 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
EIF2AK2 P19525 1/20 0.44

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
SCHEMBL5839047 0.88 BRAF (0.75) BRAFTNNI3K
SCHEMBL5839589 0.80 BRAF (0.57) BRAFXDHTNNI3K
SCHEMBL4924939 0.80 MKNK1 (0.59) BRAFTNNI3K
SCHEMBL5840446 0.77 MKNK1 (0.63) BRAFXDHTNNI3KEIF2AK2
SCHEMBL3001381 0.76 TNNI3K (0.61) BRAFXDHTNNI3K
SCHEMBL2995235 0.75 BRAF (0.73) BRAFXDHTNNI3K
SCHEMBL3001570 0.75 BRAF (0.77) BRAFXDHTNNI3KTMIGD3HTR2C
SCHEMBL5841027 0.74 BRAF (0.74) BRAFXDHTNNI3K
SCHEMBL2996504 0.74 XDH (0.57) BRAFXDHTNNI3K
SCHEMBL2995191 0.73 BRAF (0.75) BRAFXDHTNNI3K

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP disclosed
CN-1066147-C Purine derivatives and process for preparing same 诺瓦提斯公司 2001-05-23 CN disclosed
CN-1202896-A Purine derivatives and processes for their preparation 诺瓦提斯公司 1998-12-23 CN disclosed
EP-0874846-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1998-11-04 EP disclosed
WO-1997016452-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-05-09 WO disclosed