SCHEMBL28757201

SCHEMBL28757201

COc1ccc(-c2ccc(Nc3ncc(F)c(Nc4cccc(N)n4)n3)cc2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 8/20 0.53
SYK P43405 7/20 0.51
NCOR2 Q9Y618 1/20 0.51
AURKA O14965 3/20 0.47
EGFR P00533 2/20 0.47
STK17B O94768 1/20 0.47
STK17A Q9UEE5 1/20 0.47
ITK Q08881 1/20 0.45

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
SCHEMBL2100711 0.92 BCL6 (0.62) BCL6SYKNCOR2AURKAEGFR
SCHEMBL2104497 0.81 SYK (0.59) BCL6SYKNCOR2EGFRSTK17B
SCHEMBL2100597 0.79 SYK (0.64) SYKAURKA
SCHEMBL655635 0.78 BCL6 (0.80) BCL6SYKNCOR2AURKAEGFR
SCHEMBL28757204 0.77 AURKA (0.42) BCL6SYKNCOR2AURKAEGFR
SCHEMBL28753659 0.76 SYK (0.52) SYKAURKA
SCHEMBL657386 0.75 SYK (0.71) BCL6SYKNCOR2AURKAEGFR
SCHEMBL2102179 0.74 BCL6 (0.72) BCL6SYKNCOR2AURKAEGFR
SCHEMBL2101082 0.74 BCL6 (0.72) BCL6SYKNCOR2AURKAEGFR
SCHEMBL2100643 0.74 BCL6 (0.72) BCL6SYKNCOR2AURKASTK17B

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