SCHEMBL3983206

SCHEMBL3983206

COc1ccc(C2(c3nnc4ncc(-c5ccc(N6CCCC6=O)cc5)nn34)C=C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.40
TP53 P04637 2/20 0.38
F10 P00742 11/20 0.37
F2 P00734 3/20 0.37
SLC29A1 Q99808 1/20 0.37
HTT P42858 2/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL836499 0.90 MET (0.40) METTP53F10F2SLC29A1
SCHEMBL835601 0.74 MET (0.51) METNPSR1NPC1SMN1; SMN2LMNA
SCHEMBL3984239 0.72 HPGDS (0.43) METTP53SMN1; SMN2MEN1KMT2A
SCHEMBL837272 0.71 MET (0.47) METTP53HTTNPC1SMN1; SMN2
SCHEMBL838010 0.71 KMT2A (0.46) METHIF1AMEN1KMT2AMAPT
SCHEMBL837728 0.70 CHEK1 (0.46) METNPC1SMN1; SMN2
SCHEMBL609306 0.70 TP53 (0.59) TP53F10F2SLC29A1HTT
SCHEMBL29930365 0.70 TP53 (0.59) TP53F10F2SLC29A1HTT
SCHEMBL836676 0.70 MET (0.60) MET
SCHEMBL837789 0.70 MET (0.47) METNPC1SMN1; SMN2LMNAMEN1

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-2057164-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS Incyte Corporation (US) 2009-05-13 EP claimed
WO-2008021781-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-21 WO claimed