SCHEMBL28487464

SCHEMBL28487464

Cc1nc(-c2ccnc(OC(N)=O)c2)ccc1OCC1(CC(C)C)CNC1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 20/20 0.84
DAPK1 P53355 2/20 0.43
MKNK1 Q9BUB5 2/20 0.43
MYLK2 Q9H1R3 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
BMP2K Q9NSY1 2/20 0.43
GAK O14976 1/20 0.43
HTR2B P41595 1/20 0.43
KCNH2 Q12809 1/20 0.43
CIT O14578 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
MAP2K1 Q02750 1/20 0.35
PKN2 Q16513 1/20 0.35
TLK2 Q86UE8 1/20 0.35
HIPK4 Q8NE63 1/20 0.35
STK39 Q9UEW8 1/20 0.35
TLK1 Q9UKI8 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
SCHEMBL21649187 0.91 AAK1 (1.00) AAK1DAPK1MKNK1MYLK2MKNK2
SCHEMBL17143338 0.83 AAK1 (0.87) AAK1DAPK1MKNK1MYLK2MKNK2
SCHEMBL17155586 0.81 AAK1 (1.00) AAK1DAPK1MKNK1MYLK2MKNK2
SCHEMBL20496271 0.81 AAK1 (0.69) AAK1DAPK1MKNK1MYLK2MKNK2
SCHEMBL30059545 0.81 AAK1 (1.00) AAK1DAPK1MKNK1MYLK2MKNK2
SCHEMBL27220591 0.72 AAK1 (0.54) AAK1DAPK1MKNK1MYLK2MKNK2
SCHEMBL27220593 0.72 AAK1 (0.54) AAK1DAPK1MKNK1MYLK2MKNK2
SCHEMBL21649167 0.71 AAK1 (0.55) AAK1
SCHEMBL17143462 0.69 AAK1 (0.77) AAK1DAPK1MKNK1MYLK2MKNK2
SCHEMBL28903242 0.68 AAK1 (0.71) AAK1DAPK1MKNK1MYLK2MKNK2

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-112142655-A Biaryl kinase inhibitors 百时美施贵宝公司 2020-12-29 CN disclosed
CN-108368084-B Biaryl kinase inhibitors 百时美施贵宝公司 2020-10-16 CN disclosed