SCHEMBL7475002

SCHEMBL7475002

COC(=O)c1cccc(COc2cc3nc(C)n(Cc4ccc(C#N)c5ccccc45)c3cc2OC2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 7/20 0.39
NSD2 O96028 3/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
IKBKE Q14164 1/20 0.37
TLR9 Q9NR96 4/20 0.37
TLR7 Q9NYK1 2/20 0.37
DPP4 P27487 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
BRD4 O60885 1/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL7483596 0.94 TBK1 (0.40) TBK1NSD2EGFRERBB2IKBKE
SCHEMBL7484170 0.87 NSD2 (0.40) TBK1NSD2IKBKEPDE4BBRD4
SCHEMBL7484168 0.87 TBK1 (0.40) TBK1NSD2IKBKEEHMT2PDE4A
SCHEMBL7488290 0.87 TBK1 (0.40) TBK1NSD2EGFRERBB2IKBKE
SCHEMBL7488801 0.85 PDE4A (0.38) TBK1NSD2IKBKEDPP4PDE4A
SCHEMBL7477494 0.85 TBK1 (0.42) TBK1NSD2IKBKEPDE4APDE4B
SCHEMBL7483915 0.85 NSD2 (0.42) TBK1NSD2IKBKEPDE4APDE4B
SCHEMBL7488680 0.85 TBK1 (0.40) TBK1NSD2IKBKEEHMT2PDE4A
SCHEMBL7478116 0.84 NSD2 (0.41) TBK1NSD2IKBKEPDE4APDE4B
SCHEMBL7483999 0.84 NSD2 (0.41) TBK1NSD2IKBKEPDE4APDE4B

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-0865281-B1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LAB (US) 2002-04-03 EP disclosed
US-5849759-A Naphthyl-substituted benzimidazole derivatives as anti-coagulants BERLEX LABORATORIES, INC. (US) 1998-12-15 US disclosed