SCHEMBL6537403

SCHEMBL6537403

O=C(Nc1cc(Cl)cc2c(-n3ccnc3)ccnc12)c1c(Cl)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD38 P28907 7/20 0.45
ATR Q13535 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TYK2 P29597 6/20 0.43
JAK2 O60674 5/20 0.43
JAK1 P23458 4/20 0.43
CYP3A4 P08684 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CGAS Q8N884 1/20 0.40
CHUK O15111 1/20 0.38
ICOSLG O75144 1/20 0.38
ICOS Q9Y6W8 1/20 0.38

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
SCHEMBL6538101 0.90 CYP3A4 (0.46) CD38ATRMEN1KMT2ATYK2
SCHEMBL6537494 0.90 CD38 (0.46) CD38ATRMEN1KMT2ATYK2
SCHEMBL6537488 0.89 CYP3A4 (0.48) CD38ATRMEN1KMT2ATYK2
SCHEMBL6537639 0.88 CD38 (0.46) CD38ATRMEN1KMT2ATYK2
SCHEMBL6537819 0.81 CYP3A4 (0.45) CD38ATRMEN1KMT2ATYK2
SCHEMBL6537684 0.81 CYP3A4 (0.48) CD38ATRMEN1KMT2ATYK2
SCHEMBL6536783 0.81 TYK2 (0.53) TYK2JAK2JAK1CYP3A4
SCHEMBL6537943 0.81 CYP3A4 (0.47) CD38ATRMEN1KMT2ATYK2
SCHEMBL6538007 0.79 CYP3A4 (0.43) CD38ATRKMT2ATYK2JAK2
SCHEMBL6538092 0.79 CD38 (0.50) CD38ATRMEN1KMT2ATYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed