SCHEMBL1704616

SCHEMBL1704616

COC(=O)C1CCN(c2cc(Nc3cnccn3)nc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.53
GPR119 Q8TDV5 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SYK P43405 3/20 0.45
LRRK2 Q5S007 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
SCHEMBL1705093 0.93 KARS1 (0.53) KARS1GPR119SYKLRRK2
SCHEMBL901397 0.90 KARS1 (0.55) KARS1KDM4ESYK
SCHEMBL1704775 0.89 KARS1 (0.57) KARS1GPR119KDM4ESYK
SCHEMBL902991 0.89 KARS1 (0.67) KARS1GPR119KDM4ESYK
SCHEMBL1704902 0.85 KARS1 (0.73) KARS1GPR119KDM4ESYK
SCHEMBL1704732 0.85 KARS1 (0.52) KARS1GPR119SYKLRRK2
SCHEMBL1704536 0.85 LMNA (0.45) GPR119KDM4ELRRK2
SCHEMBL902972 0.84 KARS1 (0.51) KARS1GPR119SYKLRRK2
SCHEMBL901333 0.84 KARS1 (0.65) KARS1GPR119SYKLRRK2
SCHEMBL901508 0.83 KARS1 (0.56) KARS1GPR119SYKLRRK2

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