SCHEMBL20260920

SCHEMBL20260920

Cc1c(Nc2ncn(-c3cc(F)cc(F)c3)n2)cccc1N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK8 P45983 5/20 0.40
MAPK10 P53779 5/20 0.40
MAPK9 P45984 2/20 0.40
PIK3CD O00329 4/20 0.39
PIK3C2B O00750 4/20 0.39
MTOR P42345 4/20 0.39
PIK3CG P48736 4/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
STAT6 P42226 2/20 0.37
KDM4E B2RXH2 1/20 0.36
EGFR P00533 1/20 0.35
CSNK1D P48730 1/20 0.35
JUN P05412 1/20 0.35

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
SCHEMBL20260924 0.90 MAPK8 (0.35) GAAMEN1ALDH1A1KMT2AMAPK8
SCHEMBL20260918 0.87 CSNK2A2 (0.36) MAPK8MAPK10
SCHEMBL21141159 0.82 MAPK10 (0.39) GAAMEN1ALDH1A1KMT2AMAPK8
SCHEMBL20242751 0.80 RAPGEF4 (0.39) MEN1ALDH1A1KMT2A
SCHEMBL20260930 0.78 BTK (0.31) MAPK8MAPK10MAPK9
SCHEMBL18278851 0.77 MAPK8 (0.34) MAPK8MAPK10MAPK9
SCHEMBL20260875 0.76 TNIK (0.54) MAPK8MAPK10MAPK9EGFRJUN
SCHEMBL18278293 0.76 MAPK10 (0.48) MAPK8MAPK10MAPK9POLBSTAT6
SCHEMBL20260545 0.76 TNIK (0.43) MAPK8MAPK10MAPK9STAT6JUN
SCHEMBL20260395 0.75 P2RX7 (0.39) MAPK8MAPK10MAPK9

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
WO-2018106646-A1 AMINOTRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-14 WO disclosed