SCHEMBL29142195

SCHEMBL29142195

O=c1[nH]c(Cl)nc2c(F)cc(Cl)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.36
TNKS O95271 4/20 0.36
TNKS2 Q9H2K2 4/20 0.36
PARP2 Q9UGN5 2/20 0.36
PARP3 Q9Y6F1 1/20 0.36
DAO P14920 2/20 0.35
GUSB P08236 3/20 0.34
KDM4E B2RXH2 1/20 0.34
PTGES O14684 3/20 0.33
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33
TUBA1B P68363 2/20 0.33
TUBA4A P68366 2/20 0.33
TUBB4B P68371 2/20 0.33
TUBB3 Q13509 2/20 0.33
TUBB2A Q13885 2/20 0.33
TUBB8 Q3ZCM7 2/20 0.33
TUBA3E Q6PEY2 2/20 0.33
TUBA1A Q71U36 2/20 0.33

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
SCHEMBL3423892 0.84 HTT (0.41) PARP1GUSBKDM4EPTGESPIM1
SCHEMBL22101466 0.83 PARP1 (0.37) PARP1TNKSTNKS2PARP2PARP3
SCHEMBL30784338 0.81 NPC1 (0.39) PARP1TNKSTNKS2PARP2GUSB
SCHEMBL577862 0.77 PARP1 (0.51) PARP1TNKSTNKS2PARP2GUSB
SCHEMBL18128478 0.74 IP6K1 (0.56) PARP1TNKS2PIM1PIM2
SCHEMBL30826848 0.73 PARP1 (0.36) PARP1DAOPIM1PIM2
SCHEMBL22028973 0.73 PARP1 (0.36) PARP1DAOPIM1PIM2
SCHEMBL29142205 0.72 GRIN2D (0.33) PARP1TNKSTNKS2KDM4E
SCHEMBL29937099 0.69 MAP2 (0.42) PARP1DAOKDM4EMAP2
SCHEMBL27142990 0.69 MAP2 (0.42) PARP1DAOKDM4EMAP2

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 3 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
CN-117083279-A Oxazepine compounds and their use in the treatment of cancer 基因泰克公司 2023-11-17 CN disclosed
WO-2022216762-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2022-10-13 WO disclosed