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SCHEMBL1705082

SCHEMBL1705082

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(C(=O)Nc4cccnc4)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 13/20 0.60
▸ GPR119 Q8TDV5 1/20 0.43
▸ KIT P10721 2/20 0.42
▸ SYK P43405 1/20 0.42
▸ TBK1 Q9UHD2 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ WNT3A P56704 1/20 0.42
▸ PTPN11 Q06124 1/20 0.42

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 0.91 KARS1 (0.73) KARS1GPR119KITSYKTBK1
SCHEMBL1704251 0.89 KARS1 (0.73) KARS1GPR119SYKTBK1PTPN11
SCHEMBL1704270 0.89 KARS1 (0.66) KARS1
SCHEMBL901508 0.88 KARS1 (0.56) KARS1GPR119SYKTBK1
SCHEMBL1704453 0.88 KARS1 (0.52) KARS1GPR119SYKTBK1
SCHEMBL1704600 0.88 KARS1 (0.73) KARS1GPR119SYKTBK1WNT3A
SCHEMBL902972 0.87 KARS1 (0.51) KARS1GPR119SYKTBK1
SCHEMBL902626 0.87 KARS1 (0.73) KARS1GPR119SYKTBK1WNT3A
SCHEMBL902673 0.86 KARS1 (0.65) KARS1GPR119KITSYKTBK1
SCHEMBL1704267 0.86 KARS1 (0.63) KARS1GPR119KITSYKTBK1

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