SCHEMBL18995012

SCHEMBL18995012

Nc1nc(Nc2ccc(OC3CC(O)C3)c(Cl)c2)ncc1F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BCL6 P41182 9/20 0.43
▸ MAPK1 P28482 1/20 0.41
▸ STK17B O94768 2/20 0.40
▸ STK17A Q9UEE5 2/20 0.40
▸ SYK P43405 3/20 0.40
▸ NCOR2 Q9Y618 2/20 0.40
▸ EGFR P00533 2/20 0.39
▸ ITK Q08881 1/20 0.39
▸ SCN9A Q15858 3/20 0.38

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
SCHEMBL18995069 0.88 ULK1 (0.44) STK17BSTK17ASYK
SCHEMBL19527725 0.88 TNIK (0.39) STK17ASYKEGFRITKSCN9A
SCHEMBL19527748 0.86 TBK1 (0.37) SYKEGFRITKSCN9A
SCHEMBL18995121 0.85 NPC1 (0.47) —
SCHEMBL19836644 0.85 NPC1 (0.49) STK17BSTK17ASYKEGFR
SCHEMBL18995059 0.83 EGFR (0.41) BCL6STK17BSTK17ASYKNCOR2
SCHEMBL18995005 0.81 BCL6 (0.41) BCL6MAPK1STK17BSTK17ASYK
SCHEMBL29352285 0.80 BCL6 (0.61) BCL6STK17BSTK17ASYKNCOR2
SCHEMBL18995042 0.80 BCL6 (0.42) BCL6MAPK1STK17BSTK17ASYK
SCHEMBL19836663 0.77 BCL6 (0.43) BCL6MAPK1STK17BSTK17ASYK

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-9682976-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-06-20 — — US disclosed
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