SCHEMBL7463048

SCHEMBL7463048

Nc1nc(-c2ccc(NC(=O)CN(Cc3ccccc3)C(=O)c3ccncc3)cc2)cs1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.57
▸ CYP2D6 P10635 2/20 0.57
▸ PI4KB Q9UBF8 1/20 0.57
▸ ROCK1 Q13464 6/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ ROCK2 O75116 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ PRKACA P17612 1/20 0.47
▸ GRM1 Q13255 1/20 0.46
▸ LTA4H P09960 1/20 0.45
▸ PARP1 P09874 1/20 0.44
▸ NAMPT P43490 1/20 0.43

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
SCHEMBL7478638 0.82 MEN1 (0.50) ROCK1MEN1KMT2ARAB9AROCK2
SCHEMBL16468911 0.81 ROCK1 (0.49) ROCK1MEN1KMT2ARAB9AROCK2
SCHEMBL16468910 0.81 ROCK1 (0.49) ROCK1MEN1KMT2ARAB9AROCK2
SCHEMBL7470064 0.80 CPB1 (0.48) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7952818 0.80 RAB9A (0.46) CYP3A4CYP2D6PI4KBROCK1MEN1
SCHEMBL8019403 0.79 CYP3A4 (0.50) CYP3A4CYP2D6PI4KBMEN1KMT2A
SCHEMBL7532393 0.79 RAB9A (0.47) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7471959 0.76 KMT2A (0.54) ROCK1MEN1KMT2ARAB9AROCK2
SCHEMBL27601320 0.75 MEN1 (0.48) MEN1KMT2ARAB9ANPC1MAPT
Hydrochloric Acid SCHEMBL6174792 0.74 MEN1 (0.48) MEN1KMT2ARAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871619-B1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMA (US) 2002-11-06 — — EP disclosed
US-6458959-B1 VIRICIDES AND ENZYME INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-10-01 — — US disclosed
US-6348477-B1 SUBSTITUTED PHENYL THIAZOLE DERIVATIVES AS VIRICIDES BOEHRINGER INGELHEIM(CANADA) LTD. (CA) 2002-02-19 — — US disclosed
US-6288091-B1 COMPOUNDS SUCH AS 2,2,2-TRICHLOROETHYL N-(4-(2-AMINO-4-THIAZOLYL)-PHENYL)CARBAMATE THAT INHIBIT THE HERPES HELCASE-PRIMASE ENZYME COMPLEX BOEHRINGER INGELHEIM LTD. (CA) 2001-09-11 — — US disclosed
US-6057451-A AMINOTHIAZOLE DERIVATIVES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-05-02 — — US disclosed
EP-0871619-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1998-10-21 — — EP disclosed
WO-1997024343-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-07-10 — — WO disclosed
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