SCHEMBL6537860

SCHEMBL6537860

Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)ccc(C)c2c1NN

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
TYK2 P29597 8/20 0.40
RAB9A P51151 1/20 0.40
JAK2 O60674 6/20 0.40
JAK1 P23458 5/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK14 Q16539 2/20 0.36
KDR P35968 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
SCHEMBL6537938 0.86 TYK2 (0.43) KMT2ATYK2RAB9AJAK2JAK1
SCHEMBL6538056 0.86 TYK2 (0.40) KMT2ATYK2RAB9AJAK2JAK1
SCHEMBL6537770 0.85 TYK2 (0.43) KMT2ATYK2RAB9AJAK2JAK1
SCHEMBL6537971 0.84 RAB9A (0.39) KMT2ATYK2RAB9AJAK2JAK1
SCHEMBL6538173 0.83 TYK2 (0.48) KMT2ATYK2RAB9AJAK2JAK1
SCHEMBL6537573 0.81 TYK2 (0.43) KMT2ATYK2RAB9AJAK2JAK1
SCHEMBL6537350 0.80 TYK2 (0.49) TYK2RAB9AJAK2JAK1MAPT
SCHEMBL6537651 0.78 RAB9A (0.39) KMT2ATYK2RAB9AJAK2JAK1
SCHEMBL8487107 0.77 TYK2 (0.42) KMT2ATYK2RAB9AJAK2JAK1
SCHEMBL6537547 0.76 PTGES (0.42) KMT2ATYK2RAB9AJAK2JAK1

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