SCHEMBL1647236

SCHEMBL1647236

NC(=O)c1ccc(-c2cccnn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 8/20 0.53
MKNK2 Q9HBH9 8/20 0.53
HDAC4 P56524 2/20 0.48
DHODH Q02127 1/20 0.48
MAP4K4 O95819 2/20 0.46
CYP17A1 P05093 1/20 0.44
CHEK2 O96017 1/20 0.43
RIPK1 Q13546 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
SARM1 Q6SZW1 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
SIRT4 Q9Y6E7 1/20 0.43
FYN P06241 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL6213928 0.84 DHODH (0.56) MKNK1MKNK2HDAC4DHODHPOLB
SCHEMBL16291436 0.82 HDAC4 (0.48) MKNK1MKNK2HDAC4DHODHL3MBTL1
SCHEMBL15997961 0.78 ALDH1A1 (0.49) HDAC4DHODHPOLBMAPTTSHR
SCHEMBL19048355 0.78 HDAC4 (0.47) MKNK1MKNK2HDAC4DHODHPOLB
SCHEMBL931676 0.77 F7 (0.46) MKNK1MKNK2CHEK2F7F3
SCHEMBL4927431 0.76 CHEK2 (0.67) MKNK1MKNK2DHODHMAP4K4CHEK2
SCHEMBL27613082 0.75 HDAC4 (0.41) HDAC4DHODHPOLBMAPTHSD17B10
SCHEMBL8467926 0.75 HDAC4 (0.46) HDAC4DHODHCYP3A4MAPTTSHR
SCHEMBL8138043 0.75 MAPT (0.56) MKNK1MKNK2HDAC4DHODHPOLB
SCHEMBL1124106 0.73 WNT3A (0.46) HDAC4DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119497709-A Pyrimidine derivatives ASKA 制药株式会社 2025-02-21 CN disclosed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 WO disclosed