SCHEMBL21763891

SCHEMBL21763891

O=CCSc1nnc(-c2cccc(F)c2F)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 2/20 0.45
MAPT P10636 1/20 0.37
GRIN2B Q13224 3/20 0.34
SLC9A1 P19634 1/20 0.33
DHODH Q02127 1/20 0.33
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
CXCR2 P25025 6/20 0.32
RECQL P46063 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL14907883 0.82 GRK6 (0.60) GRK6MAPTSLC9A1DHODHSMN1; SMN2
SCHEMBL21763964 0.75 REN (0.36) TSHRSMN1; SMN2MEN1ALDH1A1POLB
SCHEMBL21763962 0.73 IKBKE (0.39) SMN1; SMN2MEN1KMT2A
SCHEMBL14907862 0.69 GRK6 (0.45) GRK6SMN1; SMN2ALDH1A1KMT2A
SCHEMBL23527364 0.67 ALDH1A1 (0.48) MAPTTSHRSMN1; SMN2MEN1ALDH1A1
SCHEMBL31140771 0.67 ALDH1A1 (0.48) MAPTTSHRSMN1; SMN2MEN1ALDH1A1
SCHEMBL18540022 0.67 KDM4E (0.38) GRK6MAPTSLC9A1
SCHEMBL21763938 0.66 GRK6 (0.49) GRK6MEN1KMT2A
SCHEMBL13831003 0.64 MEN1 (0.59) MAPTTSHRMEN1ALDH1A1POLB
SCHEMBL1436397 0.64 SLC9A1 (0.39) GRK6GRIN2BSLC9A1DHODHALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134390-B1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUND MEDICAL EDUCATION & RES (US) 2020-02-26 EP disclosed