SCHEMBL6537868

SCHEMBL6537868

O=C(Nc1cccc2c(-n3cnc4ccccc43)ccnc12)c1c(Cl)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.44
TYK2 P29597 9/20 0.43
JAK2 O60674 8/20 0.43
JAK1 P23458 4/20 0.43
PABPC1 P11940 1/20 0.43
EIF4H Q15056 1/20 0.43
PIK3R2 O00459 1/20 0.43
KDR P35968 1/20 0.42
CYP3A4 P08684 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
POLB P06746 1/20 0.40
FGFR1 P11362 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
CASP3 P42574 1/20 0.38
KMT2A Q03164 1/20 0.38
SENP8 Q96LD8 1/20 0.38

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
SCHEMBL6537576 0.81 BRD4 (0.53) LCKTYK2JAK2JAK1PABPC1
SCHEMBL6537999 0.81 TYK2 (0.43) LCKTYK2JAK2JAK1PABPC1
SCHEMBL6538268 0.79 TYK2 (0.45) TYK2JAK2JAK1PIK3R2KDR
SCHEMBL6537827 0.78 JAK2 (0.44) LCKTYK2JAK2JAK1PABPC1
SCHEMBL6537488 0.78 CYP3A4 (0.48) TYK2JAK2JAK1KDRCYP3A4
SCHEMBL6538073 0.77 TYK2 (0.56) TYK2JAK2JAK1PABPC1EIF4H
SCHEMBL6537723 0.77 JAK2 (0.45) LCKTYK2JAK2JAK1KDR
SCHEMBL6537421 0.77 TYK2 (0.46) TYK2JAK2JAK1PABPC1EIF4H
SCHEMBL6537977 0.76 LCK (0.44) LCKTYK2JAK2JAK1PABPC1
SCHEMBL6537471 0.74 TYK2 (0.47) TYK2JAK2JAK1PABPC1EIF4H

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