SCHEMBL21485353

SCHEMBL21485353

Cc1nc(-c2ccnc(NC(=O)O)c2)ccc1OCC(N)(CC(C)C)C(F)(F)F

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 20/20 0.86
DAPK1 P53355 3/20 0.68
MKNK2 Q9HBH9 3/20 0.68
BMP2K Q9NSY1 3/20 0.68
MKNK1 Q9BUB5 2/20 0.68
MYLK2 Q9H1R3 2/20 0.68
GAK O14976 2/20 0.68
HTR2B P41595 1/20 0.68
KCNH2 Q12809 1/20 0.68
DAPK3 O43293 2/20 0.56
JAK2 O60674 2/20 0.56
HIPK4 Q8NE63 2/20 0.56
CIT O14578 1/20 0.56
MAP2K1 Q02750 1/20 0.56
PKN2 Q16513 1/20 0.56
TLK2 Q86UE8 1/20 0.56
STK39 Q9UEW8 1/20 0.56
TLK1 Q9UKI8 1/20 0.56
ROCK2 O75116 1/20 0.56
TYRO3 Q06418 1/20 0.56

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
SCHEMBL20446922 0.93 AAK1 (1.00) AAK1DAPK1MKNK2BMP2KMKNK1
SCHEMBL17143706 0.89 AAK1 (0.86) AAK1DAPK1MKNK2BMP2KMKNK1
SCHEMBL17155572 0.81 AAK1 (1.00) AAK1DAPK1MKNK2BMP2KMKNK1
SCHEMBL30059578 0.81 AAK1 (1.00) AAK1DAPK1MKNK2BMP2KMKNK1
SCHEMBL17155610 0.81 AAK1 (1.00) AAK1DAPK1MKNK2BMP2KMKNK1
SCHEMBL19901194 0.81 AAK1 (1.00) AAK1DAPK1MKNK2BMP2KMKNK1
SCHEMBL30059562 0.81 AAK1 (1.00) AAK1DAPK1MKNK2BMP2KMKNK1
SCHEMBL20446811 0.80 AAK1 (0.85) AAK1DAPK1MKNK2BMP2KMKNK1
SCHEMBL17143842 0.80 AAK1 (0.85) AAK1DAPK1MKNK2BMP2KMKNK1
SCHEMBL17143243 0.79 AAK1 (0.86) AAK1DAPK1MKNK2BMP2KMKNK1

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
EP-3356340-B1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-23 EP claimed