SCHEMBL20260924

SCHEMBL20260924

Cc1c(Nc2ncn(-c3cc(F)cc(F)c3)n2)cccc1N1CC(N2CCOCC2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.35
MAPK10 P53779 3/20 0.35
ACVR1 Q04771 2/20 0.35
MAPK9 P45984 1/20 0.35
PIK3CD O00329 2/20 0.34
PIK3C2B O00750 2/20 0.34
MTOR P42345 2/20 0.34
PIK3CG P48736 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
INSR P06213 1/20 0.32
IGF1R P08069 1/20 0.32
ALK Q9UM73 1/20 0.32
SOS1 Q07889 4/20 0.32
STAT6 P42226 1/20 0.32
TTK P33981 1/20 0.32
TSHR P16473 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
SCHEMBL20260920 0.90 GAA (0.41) MAPK8MAPK10MAPK9PIK3CDPIK3C2B
SCHEMBL18278851 0.88 MAPK8 (0.34) MAPK8MAPK10ACVR1MAPK9TTK
SCHEMBL20260918 0.86 CSNK2A2 (0.36) MAPK8MAPK10
SCHEMBL18278868 0.85 MAPK8 (0.34) MAPK8MAPK10ACVR1MAPK9SOS1
SCHEMBL20260395 0.84 P2RX7 (0.39) MAPK8MAPK10ACVR1MAPK9TTK
SCHEMBL18278673 0.84 MAPK8 (0.36) MAPK8MAPK10ACVR1MAPK9TTK
SCHEMBL20260359 0.84 TTK (0.44) MAPK8MAPK10ACVR1MAPK9TTK
SCHEMBL20242665 0.83 MAPK10 (0.37) MAPK8MAPK10ACVR1MAPK9STAT6
SCHEMBL20260873 0.83 MAPT (0.42) MAPK8MAPK10MAPK9POLBSTAT6
SCHEMBL20260795 0.83 MAPK10 (0.41) MAPK8MAPK10ACVR1MAPK9ALDH1A1

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