SCHEMBL14723201

SCHEMBL14723201

CN([C@H]1C[C@@H](Nc2ncnc3[nH]c(-c4cccc5ccccc45)cc23)C[C@@H]1O)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.39
BRAF P15056 3/20 0.39
TNNI3K Q59H18 3/20 0.39
EGFR P00533 4/20 0.37
NAE1 Q13564 3/20 0.37
UBA3 Q8TBC4 3/20 0.37
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
PRMT5 O14744 1/20 0.36
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33

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
SCHEMBL14723199 0.83 NAE1 (0.43) CSF1RBRAFTNNI3KEGFRNAE1
SCHEMBL805376 0.72 NAE1 (0.53) CSF1RBRAFTNNI3KNAE1UBA3
SCHEMBL15007086 0.67 NAE1 (0.43) EGFRNAE1UBA3PIM1PIM2
SCHEMBL782607 0.66 NAE1 (0.63) CSF1RNAE1UBA3PRMT5
SCHEMBL15007085 0.65 NAE1 (0.43) NAE1UBA3PIM1PIM2
SCHEMBL782553 0.65 NAE1 (0.67) NAE1UBA3
SCHEMBL783028 0.64 GSK3B (0.56) CSF1RBRAFTNNI3KEGFRGSK3B
SCHEMBL17866004 0.63 AURKA (0.42) NAE1UBA3
SCHEMBL20150691 0.62 SRC (0.55) BRAFTNNI3KEGFR
SCHEMBL17865956 0.58 NAE1 (0.43) EGFRNAE1UBA3PRMT5

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-2748168-A2 INHIBITORS OF NEDD8-ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2014-07-02 EP disclosed
WO-2013028832-A2 INHIBITORS OF NEDD8-ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-28 WO disclosed