SCHEMBL1704280

SCHEMBL1704280

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(NC(=O)c4ccc5c(c4)OCO5)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.58
MAPT P10636 4/20 0.41
TBK1 Q9UHD2 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
SYK P43405 1/20 0.39

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
SCHEMBL901557 0.90 KARS1 (0.65) KARS1MAPTHTTKDM4EMEN1
SCHEMBL902626 0.89 KARS1 (0.73) KARS1TBK1GPR119SYK
SCHEMBL901379 0.88 KARS1 (0.64) KARS1TBK1GPR119SYK
SCHEMBL1704942 0.88 KARS1 (0.64) KARS1TBK1GPR119SYK
SCHEMBL1704600 0.88 KARS1 (0.73) KARS1TBK1GPR119SYK
SCHEMBL1704251 0.88 KARS1 (0.73) KARS1TBK1GPR119SYK
SCHEMBL1704921 0.88 KARS1 (0.63) KARS1MAPTTBK1GPR119SYK
SCHEMBL1705312 0.88 KARS1 (0.73) KARS1TBK1GPR119SYK
SCHEMBL1704267 0.87 KARS1 (0.63) KARS1TBK1GPR119SYK
SCHEMBL902673 0.87 KARS1 (0.65) KARS1TBK1GPR119SYK

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-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed