SCHEMBL19236963

SCHEMBL19236963

CCCCOC(=O)Cn1nc(C(N)=O)c2ccc(OCC#N)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 2/20 0.42
▸ PSEN2 P49810 2/20 0.42
▸ APH1B Q8WW43 2/20 0.42
▸ NCSTN Q92542 2/20 0.42
▸ APH1A Q96BI3 2/20 0.42
▸ PSENEN Q9NZ42 2/20 0.42
▸ SLC2A1 P11166 1/20 0.39
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ L3MBTL1 Q9Y468 4/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ PLA2G2A P14555 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL24920125 0.87 DYRK1A (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19208522 0.85 GPR119 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29781770 0.84 SLC2A1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19208780 0.84 SLC2A1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19236791 0.83 MEN1 (0.42) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL29357130 0.76 LMNA (0.52) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL19208841 0.74 TDP1 (0.44) MAPTPOLBGAATSHRALDH1A1
SCHEMBL19236962 0.72 MEN1 (0.41) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL19208509 0.71 TSHR (0.42) MEN1KMT2APOLBGAATSHR
SCHEMBL19208600 0.70 TSHR (0.44) MEN1KMT2APOLBL3MBTL1GAA

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-2017136395-A1 BENZOPYRAZOLE COMPOUNDS AND ANALOGUES THEREOF BIOCRYST PHARMACEUTICALS, INC. (US) 2017-08-10 — — WO disclosed
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