SCHEMBL901865

SCHEMBL901865

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(NC(=O)CC(CC(=O)O)c4ccccc4)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.54
WNT3A P56704 1/20 0.41
CKS1B P61024 2/20 0.40
SKP1 P63208 2/20 0.40
SKP2 Q13309 2/20 0.40
ACHE P22303 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
SYK P43405 1/20 0.39
TBK1 Q9UHD2 1/20 0.38

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
SCHEMBL901989 0.88 KARS1 (0.56) KARS1WNT3AACHEGPR119SYK
SCHEMBL1704577 0.88 KARS1 (0.56) KARS1WNT3ACKS1BSKP1SKP2
SCHEMBL1704910 0.87 KARS1 (0.55) KARS1WNT3AGPR119SYKTBK1
SCHEMBL1704770 0.87 KARS1 (0.59) KARS1WNT3ACKS1BSKP1SKP2
SCHEMBL1704353 0.87 KARS1 (0.55) KARS1WNT3ACKS1BSKP1SKP2
SCHEMBL902779 0.87 KARS1 (0.55) KARS1WNT3ACKS1BSKP1SKP2
SCHEMBL901746 0.86 KARS1 (0.72) KARS1
SCHEMBL1704251 0.86 KARS1 (0.73) KARS1CKS1BSKP1SKP2GPR119
SCHEMBL1705215 0.85 KARS1 (0.62) KARS1WNT3ACKS1BSKP1SKP2
SCHEMBL1705170 0.85 KARS1 (0.56) KARS1WNT3AACHETBK1

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
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed