SCHEMBL20260873

SCHEMBL20260873

Cc1cc(Nc2ncn(-c3cc(F)cc(F)c3)n2)ccc1N1CC(N2CCOCC2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
MAPK10 P53779 8/20 0.41
MAPK8 P45983 3/20 0.41
MAPK9 P45984 3/20 0.41
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 1/20 0.38
FGFR3 P22607 1/20 0.36
STAT6 P42226 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 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
SCHEMBL20260795 0.93 MAPK10 (0.41) MAPTMAPK10MAPK8MAPK9TDP1
SCHEMBL20260874 0.89 MAPT (0.41) MAPTMAPK10MAPK8MAPK9TDP1
SCHEMBL20242665 0.89 MAPK10 (0.37) MAPTMAPK10MAPK8MAPK9TDP1
SCHEMBL20260525 0.89 MAPK10 (0.42) MAPTMAPK10MAPK8MAPK9TP53
SCHEMBL20260877 0.86 TBK1 (0.43) MAPK10MAPK8FGFR3JAK2
SCHEMBL20260535 0.85 MAPK10 (0.38) MAPTMAPK10MAPK8MAPK9TP53
SCHEMBL18278116 0.84 MAPK10 (0.42) MAPTMAPK10MAPK8MAPK9TP53
SCHEMBL20260395 0.83 P2RX7 (0.39) MAPTMAPK10MAPK8MAPK9JAK2
SCHEMBL18277906 0.83 MAPK10 (0.40) MAPTMAPK10MAPK8MAPK9TP53
SCHEMBL20260924 0.83 MAPK8 (0.35) MAPK10MAPK8MAPK9STAT6POLB

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