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SCHEMBL1704600

SCHEMBL1704600

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(NC(=O)c4cncnc4)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 13/20 0.73
▸ RAF1 P04049 1/20 0.44
▸ BRAF P15056 1/20 0.44
▸ GPR119 Q8TDV5 1/20 0.43
▸ SYK P43405 2/20 0.42
▸ TBK1 Q9UHD2 1/20 0.42
▸ DYRK1A Q13627 1/20 0.41
▸ WNT3A P56704 1/20 0.41

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
SCHEMBL1705312 0.93 KARS1 (0.73) KARS1GPR119SYKTBK1DYRK1A
SCHEMBL1704251 0.93 KARS1 (0.73) KARS1GPR119SYKTBK1DYRK1A
SCHEMBL1705003 0.92 KARS1 (0.65) KARS1GPR119SYKTBK1DYRK1A
SCHEMBL902626 0.92 KARS1 (0.73) KARS1GPR119SYKTBK1DYRK1A
SCHEMBL901426 0.92 KARS1 (0.61) KARS1GPR119SYKTBK1DYRK1A
SCHEMBL901379 0.91 KARS1 (0.64) KARS1GPR119SYKTBK1DYRK1A
SCHEMBL1704942 0.91 KARS1 (0.64) KARS1RAF1BRAFGPR119SYK
SCHEMBL1705215 0.91 KARS1 (0.62) KARS1GPR119SYKTBK1WNT3A
SCHEMBL1704921 0.91 KARS1 (0.63) KARS1GPR119SYKTBK1
SCHEMBL902673 0.90 KARS1 (0.65) KARS1GPR119SYKTBK1DYRK1A

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