SCHEMBL29999655

SCHEMBL29999655

COc1ccc(CNc2nnccc2C(C)NCCOc2cccc3nc[nH]c(=O)c23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ EGFR P00533 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ NR2F2 P24468 1/20 0.36
▸ MMP13 P45452 3/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNB3 Q8WWL7 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ PDE9A O76083 1/20 0.33
▸ CACNA2D1 P54289 1/20 0.33
▸ APP P05067 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PARP1 P09874 1/20 0.32
▸ GPR139 Q6DWJ6 1/20 0.32
▸ AURKA O14965 1/20 0.32

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
SCHEMBL27089188 0.73 CCNE2 (0.45) NPC1MAPTEGFRPOLBNR2F2
SCHEMBL29998917 0.73 CCNE2 (0.45) NPC1MAPTEGFRPOLBNR2F2
SCHEMBL27089192 0.73 CCNE2 (0.45) NPC1MAPTEGFRPOLBNR2F2
SCHEMBL24317490 0.72 PARP1 (0.47) NPC1MAPTEGFRPOLBNR2F2
SCHEMBL29532797 0.72 PARP1 (0.47) NPC1MAPTEGFRPOLBNR2F2
SCHEMBL29999245 0.71 MMP13 (0.36) MAPTPOLBMMP13CCNB2CDK1
SCHEMBL29999248 0.71 MMP13 (0.36) MAPTPOLBMMP13CCNB2CDK1
SCHEMBL4480094 0.68 PARP1 (0.52) PARP1KDM4EPDPK1ALDH1A1SMN1; SMN2
SCHEMBL32669425 0.66 CDK1 (0.44) NPC1MAPTEGFRPOLBNR2F2
SCHEMBL3051495 0.64 PARP1 (0.63) NPC1EGFRKMT2APARP1KDM4E

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-4320132-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2024-02-14 — — EP disclosed
WO-2022216762-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2022-10-13 — — WO disclosed
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