SCHEMBL30784371

SCHEMBL30784371

COc1ccc2c(=O)[nH]c(N3CCOCC3)nc2c1C(C)n1c(=O)oc(=O)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 3/20 0.38
▸ ELANE P08246 1/20 0.37
▸ TNKS O95271 2/20 0.37
▸ TNKS2 Q9H2K2 2/20 0.37
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MGLL Q99685 4/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ PARP14 Q460N5 1/20 0.34
▸ NPC1 O15118 1/20 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
SCHEMBL30784415 0.80 PIK3CB (0.40) PRKDCELANEMGLLAPAF1CDC25B
SCHEMBL30784253 0.79 HPGD (0.43) PRKDCTNKSTNKS2HPGDMAPK1
SCHEMBL30783645 0.79 APAF1 (0.37) PRKDCELANEHPGDMAPK1NPSR1
SCHEMBL30784435 0.74 PIK3CA (0.46) PRKDCCDC25BHSD17B10
SCHEMBL30784355 0.73 PIM1 (0.50) TNKSTNKS2HPGDMAPK1NPSR1
SCHEMBL30783824 0.70 TNKS (0.42) TNKSTNKS2HPGDMAPK1NPSR1
SCHEMBL4985818 0.66 SMN1; SMN2 (0.44) TNKSTNKS2HPGDMAPK1NPSR1
SCHEMBL2420509 0.64 HTR3A (0.70) ELANEMGLLAPAF1CDC25BCASP3
SCHEMBL30054892 0.64 SMN1; SMN2 (0.55) HPGDMEN1TSHRKMT2AHSD17B10
SCHEMBL27167464 0.64 SMN1; SMN2 (0.55) HPGDMEN1TSHRKMT2AHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024026424-A1 QUINAZOLINONE DERIVATIVES AS AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
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