SCHEMBL13280762

SCHEMBL13280762

COC(=O)c1cc(OC2CN(C(C)(C)C)C2)cc(NC2CCC(NC(=O)OC(C)(C)C)CC2)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.40
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ KDM4D Q6B0I6 2/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ DRD2 P14416 3/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ CACNB4 O00305 1/20 0.34
▸ CACNA1A O00555 1/20 0.34
▸ CACNA1G O43497 1/20 0.34
▸ CACNG3 O60359 1/20 0.34
▸ CACNA1F O60840 1/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ CACNB3 P54284 1/20 0.34
▸ CACNA2D1 P54289 1/20 0.34
▸ CACNG7 P62955 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ CACNA1D Q01668 1/20 0.34

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
SCHEMBL15710476 0.90 PDE4B (0.40) BTKPIK3CAMTORPRKDCKDM4D
SCHEMBL13467831 0.88 BTK (0.48) BTKPIK3CAMTORPRKDCKDM1A
SCHEMBL15711089 0.88 BTK (0.48) BTKPIK3CAMTORPRKDCKDM1A
SCHEMBL13280218 0.83 EZH2 (0.43) BTKPIK3CAMTORPRKDCDRD2
SCHEMBL13279726 0.81 BTK (0.42) BTKPIK3CAMTORPRKDCKDM1A
SCHEMBL13280637 0.81 BTK (0.42) BTKPIK3CAMTORPRKDCKDM1A
SCHEMBL15732184 0.80 BTK (0.40) BTKPIK3CAMTORPRKDCKDM1A
SCHEMBL13276862 0.80 BTK (0.40) BTKPIK3CAMTORPRKDCKDM1A
SCHEMBL15710041 0.80 BTK (0.40) BTKKDM1AMAOBDRD2DRD3
SCHEMBL15709992 0.80 BTK (0.48) BTKPIK3CAMTORPRKDCKDM1A

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-2697198-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2014-02-19 — — EP disclosed
WO-2012142513-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2012-10-18 — — WO disclosed
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