SCHEMBL7477494

SCHEMBL7477494

Cc1nc2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(OC3CCNCC3)cc2n1Cc1ccc(C#N)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 6/20 0.42
NSD2 O96028 2/20 0.40
GPR119 Q8TDV5 7/20 0.40
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
IKBKE Q14164 1/20 0.37
BCL9 O00512 1/20 0.36
CDH1 P12830 1/20 0.36
CTNNB1 P35222 1/20 0.36
CETP P11597 1/20 0.36
BRD4 O60885 1/20 0.36
ALK Q9UM73 1/20 0.36

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
SCHEMBL7483915 0.92 NSD2 (0.42) TBK1NSD2GPR119PDE4APDE4B
SCHEMBL7483999 0.91 NSD2 (0.41) TBK1NSD2GPR119PDE4APDE4B
SCHEMBL7478116 0.91 NSD2 (0.41) TBK1NSD2GPR119PDE4APDE4B
SCHEMBL7481361 0.90 TBK1 (0.41) TBK1NSD2GPR119PDE4APDE4B
SCHEMBL7484173 0.90 TBK1 (0.41) TBK1NSD2GPR119PDE4APDE4B
SCHEMBL7484170 0.90 NSD2 (0.40) TBK1NSD2GPR119PDE4BIKBKE
SCHEMBL7477562 0.89 NSD2 (0.40) TBK1NSD2GPR119PDE4APDE4B
SCHEMBL7488680 0.89 TBK1 (0.40) TBK1NSD2GPR119PDE4APDE4B
SCHEMBL7484168 0.88 TBK1 (0.40) TBK1NSD2GPR119PDE4APDE4B
SCHEMBL7488290 0.88 TBK1 (0.40) TBK1NSD2GPR119PDE4APDE4B

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