SCHEMBL4689765

SCHEMBL4689765

[c]1[nH]ccc1-c1cc2ccccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
NPC1 O15118 4/20 0.52
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
CHEK1 O14757 1/20 0.46
KDR P35968 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ITK Q08881 2/20 0.42
CYP19A1 P11511 1/20 0.42
SMN1; SMN2 Q16637 1/20 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
SCHEMBL29631691 0.76 RAB9A (0.74) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL374022 0.76 RAB9A (0.74) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL1781163 0.74 RAB9A (0.55) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL7115131 0.70 RAB9A (0.42) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL7917255 0.70 RAB9A (0.50) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL690118 0.70 CYP19A1 (0.53) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL467441 0.70 RAB9A (0.50) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL4031802 0.70 RAB9A (0.50) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL5051826 0.70 KDR (0.68) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL5053299 0.70 NPC1 (0.87) RAB9ANPC1KDM4EMAPTMEN1

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-1556384-B1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2008-02-20 EP claimed
EP-1556384-A2 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-07-27 EP claimed
WO-2004018472-A2 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-03-04 WO claimed
EP-0830348-B1 CYCLIC AMINE DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2002-09-04 EP claimed
EP-1556384-B1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2008-02-20 EP disclosed
EP-1556384-A2 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-07-27 EP disclosed
WO-2004018472-A2 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-03-04 WO disclosed