SCHEMBL3838802

SCHEMBL3838802

CNC(=O)C=Nc1cccc(Nc2nc(Nc3cccc(O)c3)ncc2F)c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.65
AURKA O14965 3/20 0.56
MAPK8 P45983 1/20 0.56
AURKB Q96GD4 1/20 0.56
CDK19 Q9BWU1 1/20 0.56
EGFR P00533 1/20 0.52
ITK Q08881 1/20 0.52

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
SCHEMBL3838798 1.00 SYK (0.65) SYKAURKAMAPK8AURKBCDK19
SCHEMBL655063 1.00 SYK (0.65) SYKAURKAMAPK8AURKBCDK19
SCHEMBL655064 1.00 SYK (0.65) SYKAURKAMAPK8AURKBCDK19
SCHEMBL655581 0.90 SYK (0.60) SYKAURKAMAPK8AURKBCDK19
SCHEMBL16660488 0.90 SYK (0.62) SYKAURKAMAPK8AURKBCDK19
SCHEMBL655580 0.89 SYK (0.59) SYKAURKAMAPK8AURKBCDK19
SCHEMBL657318 0.89 SYK (0.65) SYKAURKAMAPK8AURKBCDK19
SCHEMBL657319 0.89 SYK (0.65) SYKAURKAMAPK8AURKBCDK19
SCHEMBL656040 0.88 SYK (0.68) SYKAURKAMAPK8AURKBCDK19
SCHEMBL656041 0.88 SYK (0.68) SYKAURKAMAPK8AURKBCDK19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2130541-A2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds Rigel Pharmaceuticals, Inc. (US) 2009-12-09 EP claimed