SCHEMBL6537767

SCHEMBL6537767

CNNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 10/20 0.53
JAK2 O60674 8/20 0.53
JAK1 P23458 5/20 0.53
KDR P35968 1/20 0.45
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.42
PABPC1 P11940 1/20 0.42
EIF4H Q15056 1/20 0.42
MEN1 O00255 1/20 0.41
CASP3 P42574 1/20 0.41
KMT2A Q03164 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL6538203 0.90 TYK2 (0.55) TYK2JAK2JAK1KDRCYP3A4
Dimethylamine SCHEMBL8474406 0.89 TYK2 (0.49) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6538041 0.89 TYK2 (0.49) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6538207 0.88 TYK2 (0.51) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6538314 0.87 TYK2 (0.47) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6537461 0.86 TYK2 (0.57) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6538304 0.86 TYK2 (0.52) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6537459 0.86 TYK2 (0.49) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6537989 0.86 TYK2 (0.51) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6537480 0.85 TYK2 (0.48) TYK2JAK2JAK1KDRCYP3A4

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