SCHEMBL5840446

SCHEMBL5840446

Fc1ccc(Nc2nc(Cl)nc3nc[nH]c23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.63
XDH P47989 1/20 0.57
BRAF P15056 3/20 0.55
TNNI3K Q59H18 1/20 0.53
SRC P12931 2/20 0.50
EIF2AK2 P19525 1/20 0.49

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
SCHEMBL2996504 0.86 XDH (0.57) XDHBRAFTNNI3KSRC
SCHEMBL3001381 0.85 TNNI3K (0.61) XDHBRAFTNNI3KSRC
SCHEMBL2995235 0.84 BRAF (0.73) XDHBRAFTNNI3K
SCHEMBL16146633 0.83 MKNK1 (0.63) MKNK1BRAFSRCEIF2AK2
SCHEMBL16146118 0.83 BRAF (0.72) MKNK1BRAFTNNI3KEIF2AK2
SCHEMBL16145741 0.83 MKNK1 (0.63) MKNK1BRAFEIF2AK2
SCHEMBL2807473 0.82 SRC (0.61) XDHBRAFTNNI3KSRC
SCHEMBL5839891 0.80 SRC (0.63) XDHTNNI3KSRC
SCHEMBL5840442 0.78 MKNK1 (0.47) MKNK1BRAF
SCHEMBL27372486 0.78 BRAF (0.57) XDHBRAFTNNI3K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091346-B1 Purine derivatives and processes for their preparation NOVARTIS AG (CH) 2006-08-15 US disclosed
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