SCHEMBL6537823

SCHEMBL6537823

Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1NCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 4/20 0.39
JAK2 O60674 3/20 0.39
JAK1 P23458 1/20 0.39
MAPK14 Q16539 2/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
NCOR1 O75376 1/20 0.38
CDK1 P06493 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL6538191 0.90 RAB9A (0.40) TYK2JAK2JAK1MAPK14KMT2A
SCHEMBL6537770 0.86 TYK2 (0.43) TYK2JAK2JAK1KMT2ASMN1; SMN2
SCHEMBL6537719 0.85 PTGES (0.40) TYK2JAK2JAK1HDAC3HDAC1
SCHEMBL8487107 0.85 TYK2 (0.42) TYK2JAK2JAK1MAPK14KMT2A
SCHEMBL8490225 0.82 TYK2 (0.41) TYK2JAK2JAK1MAPK14KMT2A
SCHEMBL8487904 0.82 EPHX1 (0.44) TYK2JAK2JAK1MAPK14HTT
SCHEMBL6538110 0.81 TYK2 (0.51) TYK2JAK2JAK1KMT2ASMN1; SMN2
SCHEMBL8491480 0.81 JAK2 (0.50) TYK2JAK2JAK1MAPK14KMT2A
SCHEMBL8489326 0.81 HAVCR2 (0.46) TYK2JAK2JAK1HDAC3HDAC1
SCHEMBL6537674 0.81 TYK2 (0.46) TYK2JAK2JAK1KMT2ASMN1; SMN2

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 2 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