SCHEMBL20319862

SCHEMBL20319862

O=C(O)c1cnc(N2CCOCC2)c(-c2cccc(F)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK4 Q13043 2/20 0.53
▸ STK3 Q13188 2/20 0.53
▸ LRRK2 Q5S007 2/20 0.53
▸ POLB P06746 1/20 0.47
▸ ABL1 P00519 3/20 0.46
▸ KMO O15229 1/20 0.45
▸ PRKDC P78527 2/20 0.44
▸ RIPK1 Q13546 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ GRIA1 P42261 1/20 0.43
▸ EGLN1 Q9GZT9 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ KDM5A P29375 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.42
▸ KDM5B Q9UGL1 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ ATR Q13535 1/20 0.42
▸ ATRIP Q8WXE1 1/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.42
▸ TP53 P04637 1/20 0.42

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
SCHEMBL20319886 0.88 POLB (0.54) STK4STK3LRRK2POLBABL1
SCHEMBL20319865 0.86 STK4 (0.53) STK4STK3LRRK2POLBKMO
SCHEMBL2703788 0.74 CNR2 (0.52) STK4STK3LRRK2EGLN1CNR2
SCHEMBL27335823 0.74 HPGDS (0.51) ABL1KMOEGLN1KDM5AKDM4C
SCHEMBL19904255 0.73 ABL1 (0.48) POLBABL1PIK3CA
SCHEMBL3957333 0.72 POLB (0.59) POLBKMOPIK3CAEGLN1TP53
SCHEMBL3947541 0.72 POLB (0.55) POLBKMOPRKDCPIK3CA
SCHEMBL16919646 0.70 PIK3CA (0.60) PIK3CAEGLN1TP53
SCHEMBL1366015 0.70 HPGDS (0.55) KMOKDM5AKDM4CKDM5B
SCHEMBL18395133 0.70 POLB (0.48) POLBKMOPIK3CACNR2TP53

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
WO-2018116285-A1 SUBSTITUTED MORPHOLINE DERIVATIVES AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-06-28 — — WO disclosed
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