SCHEMBL18995059

SCHEMBL18995059

Nc1nc(Nc2ccc(OC3CC(OCc4ccccc4)C3)c(Cl)c2)ncc1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.41
▸ ERBB2 P04626 8/20 0.41
▸ BCL6 P41182 6/20 0.39
▸ PTK6 Q13882 1/20 0.39
▸ STK17B O94768 1/20 0.38
▸ STK17A Q9UEE5 1/20 0.38
▸ SYK P43405 1/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37

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
SCHEMBL18995184 0.84 EGFR (0.39) EGFRERBB2BCL6PTK6STK17B
SCHEMBL18995012 0.83 BCL6 (0.43) EGFRBCL6STK17BSTK17ASYK
SCHEMBL15320500 0.77 BCL6 (0.44) EGFRERBB2BCL6SYKNCOR2
SCHEMBL29352285 0.74 BCL6 (0.61) BCL6STK17BSTK17ASYKNCOR2
SCHEMBL2103566 0.74 BCL6 (0.59) EGFRERBB2BCL6STK17ASYK
SCHEMBL19836252 0.73 VRK1 (0.34) —
SCHEMBL3973068 0.72 ERBB2 (0.62) EGFRERBB2PTK6GRM4
SCHEMBL18995069 0.72 ULK1 (0.44) STK17BSTK17ASYK
SCHEMBL19527725 0.71 TNIK (0.39) EGFRERBB2STK17ASYK
SCHEMBL4092866 0.71 EGFR (0.63) EGFRERBB2PTK6GRM4

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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