SCHEMBL23559721

SCHEMBL23559721

Cc1n[nH]c2ccc(C(N)=O)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 4/20 0.58
MAPK1 P28482 3/20 0.58
MAPKAPK3 Q16644 2/20 0.58
MAPK6 Q16659 2/20 0.58
MAPKAPK2 P49137 1/20 0.58
MAPKAPK5 Q8IW41 1/20 0.58
TTK P33981 1/20 0.45
MAPK8 P45983 1/20 0.45
HTR1A P08908 4/20 0.45
HTR7 P34969 3/20 0.45
HTR6 P50406 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
DRD2 P14416 1/20 0.45
JAK2 O60674 3/20 0.43
JAK1 P23458 2/20 0.43
HTR1B P28222 3/20 0.43
HTR1D P28221 2/20 0.43
CYP1A2 P05177 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL31173858 0.87 MAP2K4 (0.51) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL31504557 0.85 MAP2K4 (0.57) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL1145076 0.85 MAP2K4 (0.57) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL16308650 0.85 KIF11 (0.50) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL9987358 0.83 MAPK1 (0.66) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL4780688 0.83 JAK2 (0.50) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL6618549 0.81 ADORA2A (0.43) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL4137054 0.81 MAPK1 (0.43) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL1501529 0.81 KDM4E (0.55) MAP2K4HTR7HTR6MEN1KMT2A
SCHEMBL4403122 0.81 MAPK1 (0.43) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115427035-B ENL/AF9 YEATS inhibitors 洛克菲勒大学 2025-04-22 CN disclosed
CN-115427035-A ENL/AF9YEATS inhibitors 洛克菲勒大学 2022-12-02 CN disclosed
WO-2021127166-A1 INHIBITORS OF ENL/AF9 YEATS THE ROCKEFELLER UNIVERSITY (US) 2021-06-24 WO disclosed