SCHEMBL25060355

SCHEMBL25060355

CCOC(=O)c1c(C#N)c(-c2ccc(C(=O)N3CCCC3)cc2)nn1C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.48
▸ ABL1 P00519 1/20 0.40
▸ RIN1 Q13671 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3R2 O00459 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ PIK3R5 Q8WYR1 1/20 0.39
▸ PIK3R3 Q92569 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GPR119 Q8TDV5 4/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CHEK2 O96017 1/20 0.36

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
SCHEMBL19544304 1.00 BTK (0.48) BTKABL1RIN1MEN1KMT2A
SCHEMBL19544600 0.90 BTK (0.51) BTKALDH1A1GPR119CHEK2
SCHEMBL19624818 0.90 BTK (0.51) BTKALDH1A1GPR119CHEK2
SCHEMBL19544659 0.89 BTK (0.55) BTK
SCHEMBL19544647 0.89 BTK (0.55) BTK
SCHEMBL19624894 0.88 ABL1 (0.42) BTKABL1RIN1MEN1KMT2A
SCHEMBL19544722 0.88 BTK (0.46) BTKMEN1KMT2APIK3CDPIK3R2
SCHEMBL19544728 0.88 BTK (0.54) BTK
SCHEMBL19624836 0.88 BTK (0.46) BTKMEN1KMT2APIK3CDPIK3R2
SCHEMBL19544682 0.87 BTK (0.48) BTKALDH1A1GPR119CHEK2

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-B1 BTK INHIBITOR HUBEI BIO PHARMACEUTICAL INDUSTRIAL TECH INSTITUTE INC (CN) 2023-02-22 — — EP disclosed
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