SCHEMBL19624894

SCHEMBL19624894

CCOC(=O)c1c(N)c(-c2ccc(C(=O)N3CCCC3)cc2)nn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.42
▸ RIN1 Q13671 1/20 0.42
▸ BTK Q06187 8/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ PIK3R2 O00459 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ PIK3R5 Q8WYR1 1/20 0.40
▸ PIK3R3 Q92569 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ EGFR P00533 3/20 0.40
▸ HDAC4 P56524 2/20 0.39
▸ GPR119 Q8TDV5 2/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL25060355 0.88 BTK (0.48) ABL1RIN1BTKMEN1KMT2A
SCHEMBL19544304 0.88 BTK (0.48) ABL1RIN1BTKMEN1KMT2A
SCHEMBL19624846 0.81 CHEK2 (0.45) BTKGPR119
SCHEMBL19624840 0.80 BTK (0.52) BTKEGFR
SCHEMBL19544599 0.80 CHEK2 (0.43) BTKGPR119
SCHEMBL19545099 0.78 BTK (0.51) BTKEGFR
SCHEMBL19533648 0.78 BTK (0.44) ABL1RIN1BTKMEN1KMT2A
SCHEMBL19624953 0.78 CHEK2 (0.42) BTKGPR119
SCHEMBL19624818 0.78 BTK (0.51) BTKGPR119
SCHEMBL19533629 0.78 BTK (0.49) BTKEGFR

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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