SCHEMBL6537642

SCHEMBL6537642

O=C(Nc1cccc2c(CBr)ccnc12)c1c(Cl)cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 11/20 0.50
JAK2 O60674 9/20 0.50
JAK1 P23458 4/20 0.50
KDR P35968 2/20 0.45
CYP3A4 P08684 1/20 0.44
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
SLC16A3 O15427 1/20 0.42
PABPC1 P11940 1/20 0.42
EIF4H Q15056 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CRHBP P24387 1/20 0.41
HTT P42858 1/20 0.41
CRHR2 Q13324 1/20 0.41
GAA P10253 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
SCHEMBL6538161 0.90 TYK2 (0.52) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6537487 0.87 TYK2 (0.49) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6537928 0.85 TYK2 (0.47) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6538073 0.84 TYK2 (0.56) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6537957 0.84 TYK2 (0.44) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6537365 0.84 TYK2 (0.46) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6537664 0.82 POLB (0.45) TYK2JAK2JAK1KDRTMEM97
SCHEMBL6538163 0.81 NR4A2 (0.57) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6538084 0.81 TYK2 (0.53) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6537767 0.81 TYK2 (0.53) 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