SCHEMBL6537617

SCHEMBL6537617

CC(=O)NNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)c(C)ccc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 12/20 0.45
JAK2 O60674 9/20 0.45
JAK1 P23458 6/20 0.45
KMT2A Q03164 1/20 0.43
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MAPK14 Q16539 1/20 0.37
LCK P06239 2/20 0.37
RAF1 P04049 1/20 0.37
CSF1R P07333 1/20 0.37
ARAF P10398 1/20 0.37
BRAF P15056 1/20 0.37
DDR1 Q08345 1/20 0.37
DDR2 Q16832 1/20 0.37

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
SCHEMBL6537453 0.86 TYK2 (0.47) TYK2JAK2JAK1KMT2ARAB9A
SCHEMBL6538207 0.84 TYK2 (0.51) TYK2JAK2JAK1KMT2AALDH1A1
SCHEMBL6538150 0.84 KMT2A (0.50) TYK2JAK2JAK1KMT2ARAB9A
Dimethylamine SCHEMBL8474406 0.83 TYK2 (0.49) TYK2JAK2JAK1KMT2AALDH1A1
SCHEMBL6537680 0.82 HTR1A (0.46) TYK2JAK2JAK1KMT2ARAB9A
SCHEMBL6537912 0.82 TYK2 (0.46) TYK2JAK2JAK1RAB9AALDH1A1
SCHEMBL6537529 0.81 TYK2 (0.50) TYK2JAK2JAK1RAB9A
SCHEMBL6537352 0.80 TYK2 (0.51) TYK2JAK2JAK1ALDH1A1GAA
SCHEMBL6537600 0.78 TYK2 (0.49) TYK2JAK2JAK1KMT2AALDH1A1
SCHEMBL6537731 0.78 TYK2 (0.47) TYK2JAK2JAK1RAB9AALDH1A1

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