SCHEMBL27612874

SCHEMBL27612874

CCOC(=O)c1cnc(Cl)nc1NOCc1ccccc1.Oc1cccc(Nc2ncc(F)c(Nc3ccc4c(c3)OCCO4)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.51
EGFR P00533 2/20 0.49
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
AURKA O14965 1/20 0.46
MAPK8 P45983 1/20 0.46
AURKB Q96GD4 1/20 0.46
CDK19 Q9BWU1 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL656654 0.87 MAPT (0.57) SYKLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL655819 0.82 SYK (0.52) SYKEGFRLMNAMAPTSMN1; SMN2
SCHEMBL27612398 0.82 SYK (0.65) SYKEGFR
SCHEMBL27632158 0.82 SYK (0.65) SYKEGFR
SCHEMBL655299 0.78 SYK (0.67) SYKEGFRSMN1; SMN2
SCHEMBL27612687 0.78 SYK (0.60) SYKEGFRAURKA
SCHEMBL27612665 0.77 SYK (0.56) SYKEGFR
SCHEMBL654713 0.77 ALDH1A1 (0.62) SYKLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL656182 0.77 SYK (0.74) SYKEGFRAURKAMAPK8AURKB
SCHEMBL27612772 0.75 SYK (0.56) SYKEGFR

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
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN disclosed