SCHEMBL7788943

SCHEMBL7788943

COC(=O)c1cccc(Nc2nc(Cl)nc3nc[nH]c23)c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 1/20 0.62
BRAF P15056 3/20 0.62
TOP2A P11388 1/20 0.55
CREBBP Q92793 1/20 0.54
MKNK1 Q9BUB5 1/20 0.53

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
SCHEMBL6578900 0.84 MAPK1 (0.51) TNNI3KBRAF
SCHEMBL3004037 0.83 NPC1 (0.69) TNNI3KBRAF
SCHEMBL2995191 0.81 BRAF (0.75) TNNI3KBRAF
SCHEMBL3001570 0.81 BRAF (0.77) TNNI3KBRAF
SCHEMBL2995235 0.79 BRAF (0.73) TNNI3KBRAF
SCHEMBL3001381 0.78 TNNI3K (0.61) TNNI3KBRAF
SCHEMBL12491980 0.78 MAPK1 (0.56)
SCHEMBL12518610 0.77 MAPK1 (0.58)
SCHEMBL15121705 0.76 BRAF (0.60) TNNI3KBRAF
SCHEMBL12519774 0.76 MAPK1 (0.54)

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-1153024-A1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2001-11-14 EP disclosed
WO-2000049018-A1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2000-08-24 WO disclosed