SCHEMBL28619589

SCHEMBL28619589

COc1cc2c(=O)[nH]c(-c3ccc[nH]3)nc2c(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.49
▸ TNKS O95271 10/20 0.44
▸ TNKS2 Q9H2K2 10/20 0.44
▸ PARP2 Q9UGN5 6/20 0.44
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42
▸ TUBB3 Q13509 1/20 0.42
▸ TUBB2A Q13885 1/20 0.42
▸ TUBB8 Q3ZCM7 1/20 0.42
▸ TUBA3E Q6PEY2 1/20 0.42
▸ TUBA1A Q71U36 1/20 0.42
▸ TUBA1C Q9BQE3 1/20 0.42
▸ TUBB6 Q9BUF5 1/20 0.42
▸ TUBB2B Q9BVA1 1/20 0.42
▸ TUBB1 Q9H4B7 1/20 0.42
▸ PARP1 P09874 4/20 0.42

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
SCHEMBL29842180 1.00 PDGFRB (0.49) PDGFRBTNKSTNKS2PARP2TUBB4A
SCHEMBL28613419 0.75 ADORA3 (0.42) TNKSTNKS2PARP2TUBB4ATUBB
SCHEMBL29841998 0.75 ADORA3 (0.42) TNKSTNKS2PARP2TUBB4ATUBB
SCHEMBL4980044 0.74 PDE5A (0.45) PDGFRBTNKSTNKS2PARP2KMT2A
SCHEMBL28613470 0.74 TUBB4A (0.47) TNKSTNKS2PARP2TUBB4ATUBB
SCHEMBL29827275 0.74 TUBB4A (0.47) TNKSTNKS2PARP2TUBB4ATUBB
SCHEMBL4981854 0.73 PDE5A (0.51) TNKSTNKS2PARP1KMT2A
SCHEMBL29827709 0.71 ALDH1A1 (0.41) TNKSTNKS2PARP2PARP1GUSB
SCHEMBL4987382 0.71 PDE5A (0.42) KMT2A
SCHEMBL25921904 0.70 KDM4E (0.46) KMT2A

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
CN-113292547-B 2-aromatic heterocyclic quinazoline ketone compound and preparation method and application thereof 南方医科大学 2022-08-16 — — CN disclosed
CN-113292547-A 2-aromatic heterocyclic quinazoline ketone compound and preparation method and application thereof 南方医科大学 2021-08-24 — — CN disclosed
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