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SCHEMBL1705215

SCHEMBL1705215

CC(=O)Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 13/20 0.62
▸ GPR119 Q8TDV5 1/20 0.47
▸ SYK P43405 2/20 0.45
▸ WNT3A P56704 1/20 0.43
▸ TBK1 Q9UHD2 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.42
▸ CKS1B P61024 1/20 0.42
▸ SKP1 P63208 1/20 0.42
▸ SKP2 Q13309 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
SCHEMBL902995 0.93 KARS1 (0.67) KARS1GPR119SYKWNT3ATBK1
SCHEMBL1704902 0.92 KARS1 (0.73) KARS1GPR119SYK
SCHEMBL1704251 0.91 KARS1 (0.73) KARS1GPR119SYKTBK1CKS1B
SCHEMBL1704600 0.91 KARS1 (0.73) KARS1GPR119SYKWNT3ATBK1
SCHEMBL1705200 0.90 KARS1 (0.78) KARS1GPR119SYK
SCHEMBL1705312 0.90 KARS1 (0.73) KARS1GPR119SYKTBK1
SCHEMBL902626 0.90 KARS1 (0.73) KARS1GPR119SYKWNT3ATBK1
SCHEMBL901989 0.90 KARS1 (0.56) KARS1GPR119SYKWNT3ATBK1
SCHEMBL1704942 0.90 KARS1 (0.64) KARS1GPR119SYKWNT3ATBK1
SCHEMBL901379 0.90 KARS1 (0.64) KARS1GPR119SYKWNT3ATBK1

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