SCHEMBL29418616

SCHEMBL29418616

Cc1cc(-c2ncncc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1CNC(=O)c1cn(C(C)(C)C)nn1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 7/20 0.51
▸ CYP46A1 Q9Y6A2 2/20 0.40
▸ GPR119 Q8TDV5 3/20 0.39
▸ CRBN Q96SW2 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ WNT3A P56704 1/20 0.37
▸ BRAF P15056 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ RET P07949 1/20 0.35
▸ HDAC6 Q9UBN7 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
SCHEMBL25214690 1.00 BTK (0.51) BTKCYP46A1GPR119CRBNKLKB1
SCHEMBL25244549 0.90 BTK (0.51) BTKCYP46A1CRBNKLKB1
SCHEMBL29418443 0.90 BTK (0.51) BTKCYP46A1CRBNKLKB1
SCHEMBL29418287 0.88 BTK (0.54) BTKCYP46A1CRBNKLKB1
SCHEMBL25224811 0.88 BTK (0.54) BTKCYP46A1CRBNKLKB1
SCHEMBL25270244 0.87 BTK (0.50) BTKGPR119CRBNKLKB1MEN1
SCHEMBL29418498 0.87 BTK (0.50) BTKGPR119CRBNKLKB1MEN1
SCHEMBL25216839 0.85 CYP46A1 (0.40) BTKCYP46A1GPR119MEN1KMT2A
SCHEMBL29418478 0.85 CYP46A1 (0.40) BTKCYP46A1GPR119MEN1KMT2A
SCHEMBL29418334 0.83 BTK (0.46) BTKCYP46A1GPR119CRBNKLKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4192587-A1 BTK INHIBITORS Biogen MA Inc. (US) 2023-06-14 — — EP disclosed
WO-2022032019-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2022-02-10 — — WO disclosed
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