SCHEMBL19527748

SCHEMBL19527748

Nc1nc(Nc2ccc(OC3CC(O)C3)c(OC(F)F)c2)ncc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 1/20 0.37
▸ SYK P43405 6/20 0.36
▸ EGFR P00533 5/20 0.36
▸ ITK Q08881 4/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ TNIK Q9UKE5 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ ULK1 O75385 1/20 0.34
▸ GRM5 P41594 1/20 0.33

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
SCHEMBL18995012 0.86 BCL6 (0.43) SYKEGFRITKSCN9A
SCHEMBL19527725 0.86 TNIK (0.39) TBK1SYKEGFRITKFLT3
SCHEMBL18995069 0.84 ULK1 (0.44) SYKFLT3ULK1
SCHEMBL18995121 0.83 NPC1 (0.47) TBK1NPC1RAB9AGRM5
SCHEMBL19527683 0.81 SYK (0.47) SYKEGFRITKNPC1RAB9A
SCHEMBL15323103 0.74 EGFR (0.39) EGFRITKALKULK1
SCHEMBL15321742 0.74 EGFR (0.39) EGFRITKALKULK1
SCHEMBL15323107 0.74 EGFR (0.39) EGFRITKALKULK1
SCHEMBL19836644 0.73 NPC1 (0.49) TBK1SYKEGFRNPC1RAB9A
SCHEMBL19527697 0.73 SYK (0.48) SYKTNIKNPC1RAB9A

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
EP-2833889-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2017-11-01 — — EP disclosed
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