SCHEMBL19624836

SCHEMBL19624836

CCOC(=O)c1c(C#N)c(-c2ccc(C3OCCO3)cc2)nn1C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.46
▸ PIK3CD O00329 1/20 0.37
▸ PIK3R2 O00459 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ PIK3R5 Q8WYR1 1/20 0.37
▸ PIK3R3 Q92569 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ GPR119 Q8TDV5 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HPGD P15428 2/20 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
SCHEMBL19544722 1.00 BTK (0.46) BTKPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL19544304 0.88 BTK (0.48) BTKPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL25060355 0.88 BTK (0.48) BTKPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL19624818 0.87 BTK (0.51) BTKALDH1A1GPR119HPGDKDM4E
SCHEMBL19544600 0.87 BTK (0.51) BTKALDH1A1GPR119HPGDKDM4E
SCHEMBL25060481 0.87 BTK (0.38) BTKPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL19544647 0.86 BTK (0.55) BTKEGFR
SCHEMBL19544659 0.86 BTK (0.55) BTKEGFR
SCHEMBL19624681 0.85 PIK3CD (0.39) BTKPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL19544682 0.84 BTK (0.48) BTKALDH1A1GPR119HPGDKDM4E

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-3246317-A1 BTK INHIBITOR Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2017-11-22 — — EP disclosed
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