SCHEMBL19297748

SCHEMBL19297748

COc1ccc(Nc2ncc(F)c(Nc3ccc4c(c3)NC(=O)C(C)(C)S4)n2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 12/20 0.58
NCOR2 Q9Y618 2/20 0.55
SYK P43405 4/20 0.53
EGFR P00533 2/20 0.47
STK17B O94768 1/20 0.47
STK17A Q9UEE5 1/20 0.47
PTK2 Q05397 1/20 0.46
ITK Q08881 1/20 0.45
AURKA O14965 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
SCHEMBL19297726 0.92 EGFR (0.48) BCL6NCOR2SYKEGFRSTK17B
SCHEMBL14837242 0.89 SYK (0.56) BCL6SYKEGFRSTK17BSTK17A
SCHEMBL19297732 0.86 SYK (0.55) SYKEGFRSTK17BSTK17APTK2
SCHEMBL19297754 0.86 BCL6 (0.58) BCL6NCOR2SYKEGFRSTK17B
SCHEMBL1381667 0.85 SYK (0.51) SYKEGFRSTK17BSTK17APTK2
SCHEMBL19297752 0.84 AURKA (0.53) SYKEGFRAURKA
SCHEMBL2102713 0.83 SYK (0.66) BCL6NCOR2SYKEGFRSTK17B
SCHEMBL19297719 0.83 BCL6 (0.57) BCL6NCOR2SYKEGFRSTK17B
SCHEMBL655635 0.83 BCL6 (0.80) BCL6NCOR2SYKEGFRSTK17B
SCHEMBL2102264 0.82 SYK (0.62) BCL6NCOR2SYKEGFRSTK17B

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