SCHEMBL6537668

SCHEMBL6537668

NNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 11/20 0.55
JAK2 O60674 10/20 0.55
JAK1 P23458 6/20 0.55
KDR P35968 2/20 0.47
CYP3A4 P08684 1/20 0.46
PABPC1 P11940 1/20 0.43
EIF4H Q15056 1/20 0.43
MEN1 O00255 1/20 0.43
CASP3 P42574 1/20 0.43
KMT2A Q03164 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
MAP4K4 O95819 1/20 0.42
CSNK2A1 P68400 1/20 0.42
HIPK4 Q8NE63 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 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
SCHEMBL6538203 0.87 TYK2 (0.55) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6538073 0.87 TYK2 (0.56) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6537972 0.86 TYK2 (0.52) TYK2JAK2JAK1CYP3A4CDK9
SCHEMBL6537461 0.86 TYK2 (0.57) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6538087 0.86 TYK2 (0.51) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6538163 0.86 NR4A2 (0.57) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6538110 0.85 TYK2 (0.51) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6537767 0.85 TYK2 (0.53) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6537718 0.84 TYK2 (0.50) TYK2JAK2JAK1CDK9JAK3
SCHEMBL6536340 0.84 TYK2 (0.50) TYK2JAK2JAK1CDK9JAK3

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