SCHEMBL18308329

SCHEMBL18308329

COc1cc2c(cc1/C(C(C)=N)=C(\C)O)ncc1nnc(Cc3ccc(S(C)(=O)=O)cc3)n12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 2/20 0.36
▸ IKBKE Q14164 1/20 0.35
▸ PTGS2 P35354 3/20 0.34
▸ IDH1 O75874 2/20 0.32
▸ MAPT P10636 1/20 0.31
▸ PRKDC P78527 2/20 0.31
▸ MET P08581 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ ATR Q13535 1/20 0.31
▸ ATRIP Q8WXE1 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL18308511 0.83 MRGPRX4 (0.40) MAPT
SCHEMBL18308334 0.82 MAPT (0.33) MAPT
SCHEMBL18308342 0.82 PDE2A (0.36) PLK1MAPTMET
SCHEMBL18308508 0.81 KIT (0.38) PLK1PRKDCMET
SCHEMBL18308506 0.80 ALDH1A1 (0.37) PLK1MAPT
SCHEMBL18308550 0.79 HPGDS (0.31) —
SCHEMBL18308509 0.78 PLK1 (0.38) PLK1MAPTPRKDC
SCHEMBL18308538 0.77 VCP (0.32) PLK1
SCHEMBL18308373 0.71 CSF1R (0.37) IDH1MAPT
SCHEMBL18308378 0.66 BRD4 (0.36) MAPT

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-2016199943-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-15 — — WO disclosed
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