SCHEMBL1704730

SCHEMBL1704730

CC(C)(C)OC(=O)C[C@@H](CC1CCCCC1)C(=O)Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.55
GPR119 Q8TDV5 1/20 0.40
SYK P43405 1/20 0.40
TBK1 Q9UHD2 4/20 0.38
WNT3A P56704 1/20 0.37

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
SCHEMBL901965 0.95 KARS1 (0.53) KARS1GPR119SYK
SCHEMBL1704582 0.88 KARS1 (0.53) KARS1GPR119SYKTBK1WNT3A
SCHEMBL1704514 0.84 KARS1 (0.54) KARS1GPR119SYKTBK1WNT3A
SCHEMBL1704902 0.84 KARS1 (0.73) KARS1GPR119SYK
SCHEMBL902792 0.84 KARS1 (0.53) KARS1GPR119SYKTBK1WNT3A
SCHEMBL1704910 0.84 KARS1 (0.55) KARS1GPR119SYKTBK1WNT3A
SCHEMBL1705215 0.83 KARS1 (0.62) KARS1GPR119SYKTBK1WNT3A
SCHEMBL1705200 0.83 KARS1 (0.78) KARS1GPR119SYK
SCHEMBL1704395 0.83 KARS1 (0.53) KARS1SYKTBK1WNT3A
SCHEMBL1704552 0.82 KARS1 (0.67) KARS1

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