SCHEMBL29907111

SCHEMBL29907111

[2H]C([2H])([2H])c1cccc(-c2nc3cnn(Cc4ccc(OC)cc4)c3cc2OC)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.44
GRIN2B Q13224 3/20 0.44
NPBWR1 P48145 7/20 0.39
DCTPP1 Q9H773 2/20 0.38
BUB1 O43683 1/20 0.36
P2RX7 Q99572 2/20 0.35
MCHR1 Q99705 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
SLC2A1 P11166 1/20 0.35
OPRK1 P41145 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CNR2 P34972 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL23210876 1.00 GRIN1 (0.44) GRIN1GRIN2BNPBWR1DCTPP1BUB1
SCHEMBL23210971 0.94 GRIN1 (0.46) GRIN1GRIN2BNPBWR1DCTPP1BUB1
SCHEMBL30308773 0.94 GRIN1 (0.46) GRIN1GRIN2BNPBWR1DCTPP1BUB1
SCHEMBL29907069 0.75 BUB1 (0.39) DCTPP1BUB1OPRK1KDM4EALDH1A1
SCHEMBL23210986 0.75 BUB1 (0.39) DCTPP1BUB1OPRK1KDM4EALDH1A1
SCHEMBL23210919 0.75 GRIN1 (0.49) GRIN1GRIN2BNPBWR1DCTPP1MCHR1
SCHEMBL30308758 0.75 GRIN1 (0.49) GRIN1GRIN2BNPBWR1DCTPP1MCHR1
SCHEMBL23211078 0.74 BUB1 (0.35) DCTPP1BUB1OPRK1KDM4EALDH1A1
SCHEMBL23210908 0.72 ROCK2 (0.41) BUB1
SCHEMBL29907185 0.72 ROCK2 (0.41) BUB1

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-4045151-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS Incyte Corporation (US) 2022-08-24 EP disclosed