SCHEMBL29418498

SCHEMBL29418498

Cc1cc(-c2ccncc2N2CCN(C(=O)OC(C)(C)C)CC2)ccc1CNC(=O)c1cn(C(C)(C)C)nn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.50
▸ GPR119 Q8TDV5 5/20 0.41
▸ KLKB1 P03952 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CRBN Q96SW2 1/20 0.37
▸ DGAT2 Q96PD7 2/20 0.37
▸ WNT3A P56704 1/20 0.37
▸ KIT P10721 1/20 0.36
▸ NAMPT P43490 2/20 0.36
▸ BRAF P15056 1/20 0.36
▸ RET P07949 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL25270244 1.00 BTK (0.50) BTKGPR119KLKB1SMN1; SMN2MEN1
SCHEMBL25217739 0.90 BTK (0.45) BTKCRBNDGAT2NAMPTRET
SCHEMBL29418390 0.90 BTK (0.45) BTKCRBNDGAT2NAMPTRET
SCHEMBL29418315 0.90 BTK (0.50) BTKKLKB1CRBNDGAT2
SCHEMBL25267775 0.90 BTK (0.50) BTKKLKB1CRBNDGAT2
SCHEMBL25254446 0.88 BTK (0.52) BTKKLKB1CRBNDGAT2
SCHEMBL29418669 0.88 BTK (0.52) BTKKLKB1CRBNDGAT2
SCHEMBL25214690 0.87 BTK (0.51) BTKGPR119KLKB1SMN1; SMN2MEN1
SCHEMBL29418616 0.87 BTK (0.51) BTKGPR119KLKB1SMN1; SMN2MEN1
SCHEMBL25256942 0.86 BTK (0.44) BTKKLKB1CRBNDGAT2NAMPT

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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