SCHEMBL18700210

SCHEMBL18700210

Cc1ccc(Oc2ccc(-c3n[nH]c(N)c3C(N)=O)cc2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 3/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
BTK Q06187 9/20 0.46
GFER P55789 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.38
MAP2K4 P45985 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAPKAPK3 Q16644 1/20 0.38
MAPK6 Q16659 1/20 0.38
MAPKAPK5 Q8IW41 1/20 0.38
HAO1 Q9UJM8 1/20 0.37
LCK P06239 1/20 0.37
BACE1 P56817 1/20 0.36

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
SCHEMBL16197120 0.83 SCN9A (0.50) BTKLCK
SCHEMBL18700175 0.82 LTA4H (0.48) CHEK2KMT2AMEN1BTKGFER
SCHEMBL18700125 0.81 BTK (0.50) CHEK2SMN1; SMN2BTKGFERLMNA
SCHEMBL29709430 0.80 LCK (0.45) BTKGFERGAALCK
SCHEMBL25892423 0.77 ALDH1A1 (0.44) MAPTSMN1; SMN2GFERLMNAGAA
SCHEMBL25891793 0.75 GAA (0.43) KMT2AMEN1BTKGFERGAA
SCHEMBL19636003 0.75 SCN4A (0.54) BTK
SCHEMBL16247149 0.75 SRC (0.58) SMN1; SMN2BTKGFERGAA
SCHEMBL17637853 0.74 MAP2K4 (0.47) GFERLMNAGAAMAPK1MAP2K4
SCHEMBL18700213 0.74 SCN9A (0.53) CHEK2BTK

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-2914586-B1 BRUTON'S TYROSINE KINASE INHIBITORS PFIZER (US) 2017-04-05 EP disclosed