SCHEMBL19297744

SCHEMBL19297744

COc1ccc(Nc2ncc(F)c(Nc3ccc4c(c3)NC(=O)C(C)S4)n2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.47
AURKA O14965 3/20 0.47
EGFR P00533 7/20 0.47
ITK Q08881 2/20 0.47
PTK2 Q05397 1/20 0.46
BCL6 P41182 6/20 0.46
BTK Q06187 1/20 0.44
NCOR2 Q9Y618 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
SCHEMBL19297727 0.91 SYK (0.54) SYKAURKAEGFRITKPTK2
SCHEMBL19297721 0.89 SYK (0.55) SYKAURKAEGFR
SCHEMBL19297747 0.87 AURKA (0.52) SYKAURKAEGFR
SCHEMBL19297718 0.84 SYK (0.48) SYKAURKAEGFRITKPTK2
SCHEMBL19297726 0.84 EGFR (0.48) SYKAURKAEGFRITKPTK2
SCHEMBL27631763 0.84 SYK (0.62) SYKAURKA
SCHEMBL19297729 0.84 SYK (0.62) SYKAURKA
SCHEMBL12389631 0.83 SYK (0.57) SYKAURKAEGFR
SCHEMBL12440229 0.83 SYK (0.55) SYK
SCHEMBL19297760 0.82 EGFR (0.45) SYKAURKAEGFRITKPTK2

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
US-9751893-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2017-09-05 US claimed