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SCHEMBL19297745

SCHEMBL19297745

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BCL6 P41182 12/20 0.56
▸ NCOR2 Q9Y618 2/20 0.53
▸ SYK P43405 4/20 0.51
▸ EGFR P00533 2/20 0.46
▸ STK17B O94768 1/20 0.45
▸ STK17A Q9UEE5 1/20 0.45
▸ PTK2 Q05397 1/20 0.44
▸ ITK Q08881 1/20 0.44
▸ AURKA O14965 1/20 0.43

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
SCHEMBL19297760 0.92 EGFR (0.45) BCL6NCOR2SYKEGFRPTK2
SCHEMBL19297724 0.89 SYK (0.53) BCL6SYKEGFRSTK17BSTK17A
SCHEMBL19297712 0.85 AURKA (0.50) SYKEGFRSTK17APTK2ITK
SCHEMBL19297719 0.85 BCL6 (0.57) BCL6NCOR2SYKEGFRSTK17B
SCHEMBL19297723 0.84 BCL6 (0.59) BCL6NCOR2SYKEGFRSTK17B
SCHEMBL2100735 0.82 BCL6 (0.56) BCL6NCOR2SYKEGFRSTK17B
SCHEMBL2103320 0.82 BCL6 (0.56) BCL6NCOR2SYKEGFRSTK17B
SCHEMBL19297758 0.82 SYK (0.60) SYKAURKA
SCHEMBL19297735 0.81 SYK (0.55) SYKEGFR
SCHEMBL19297730 0.81 SYK (0.43) SYKEGFRSTK17APTK2ITK

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