SCHEMBL20124956

SCHEMBL20124956

Cn1nnn(-c2cc(Nc3ncc(F)c(N)n3)ccc2OC2CCOCC2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.41
▸ ITK Q08881 2/20 0.41
▸ TBK1 Q9UHD2 12/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ JAK2 O60674 2/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ SYK P43405 1/20 0.37
▸ IKBKE Q14164 1/20 0.37
▸ P2RX3 P56373 1/20 0.36

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
SCHEMBL19527797 0.86 EGFR (0.47) EGFRITKPTK2GRM4SYK
SCHEMBL1943697 0.84 PRKCQ (0.48) EGFRITKSYK
SCHEMBL1944490 0.83 EGFR (0.41) EGFRITKTBK1SYK
SCHEMBL18995116 0.79 MAPK8 (0.34) EGFRITKJAK2SYK
SCHEMBL15337213 0.79 LRRK2 (0.34) PTK2
SCHEMBL16072519 0.79 EGFR (0.42) EGFRITKTBK1SYK
SCHEMBL15322084 0.79 EGFR (0.42) EGFRITKTBK1SYK
SCHEMBL19731825 0.78 EGFR (0.46) EGFRITKSYK
SCHEMBL18995054 0.78 LRRK2 (0.39) GRM4
SCHEMBL1944202 0.77 RAF1 (0.40) TBK1GRM4SYKIKBKEP2RX3

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-2970275-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2018-05-09 — — EP disclosed
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