SCHEMBL6537576

SCHEMBL6537576

O=C(Nc1cccc2c(Cn3cnc4ccccc43)ccnc12)c1c(Cl)cccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.53
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
IDO1 P14902 1/20 0.43
NR1I2 O75469 1/20 0.42
POLB P06746 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
PABPC1 P11940 1/20 0.41
EIF4H Q15056 1/20 0.41
HSD17B13 Q7Z5P4 8/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
CRHBP P24387 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41
LCK P06239 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL6538294 0.83 MEN1 (0.42) BRD4HDAC1HDAC6IDO1NR1I2
SCHEMBL6537868 0.81 LCK (0.44) POLBJAK2JAK1TYK2PABPC1
SCHEMBL6538161 0.80 TYK2 (0.52) JAK2JAK1TYK2PABPC1EIF4H
SCHEMBL6538324 0.79 BRD4 (0.50) BRD4POLBJAK2JAK1TYK2
SCHEMBL6537308 0.78 POLB (0.41) HDAC1HDAC6IDO1POLBHSD17B13
SCHEMBL6537642 0.78 TYK2 (0.50) JAK2JAK1TYK2PABPC1EIF4H
SCHEMBL6537946 0.78 MEN1 (0.41) POLBHTTSMN1; SMN2MEN1CRHBP
SCHEMBL6537487 0.77 TYK2 (0.49) JAK2JAK1TYK2PABPC1EIF4H
SCHEMBL6537928 0.75 TYK2 (0.47) JAK2JAK1TYK2PABPC1EIF4H
SCHEMBL6538073 0.75 TYK2 (0.56) JAK2JAK1TYK2PABPC1EIF4H

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