SCHEMBL1704905

SCHEMBL1704905

CC(=O)N1CCC(C(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCN(C(=O)O)CC4)c3)c2)CC1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.83
MAPK8 P45983 1/20 0.51
MAPK10 P53779 1/20 0.51
RXFP1 Q9HBX9 1/20 0.47
KDM4E B2RXH2 2/20 0.46
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL902773 0.91 KARS1 (1.00) KARS1MAPK8MAPK10RXFP1KDM4E
SCHEMBL902572 0.91 KARS1 (0.69) KARS1KDM4ETP53MEN1KMT2A
SCHEMBL1705200 0.91 KARS1 (0.78) KARS1MAPK8MAPK10RXFP1KDM4E
SCHEMBL901969 0.90 KARS1 (0.70) KARS1MAPK8MAPK10KDM4ETP53
SCHEMBL901757 0.89 KARS1 (0.66) KARS1RXFP1
SCHEMBL1704902 0.87 KARS1 (0.73) KARS1KDM4ETP53MEN1KMT2A
SCHEMBL1704272 0.85 KARS1 (0.74) KARS1
SCHEMBL1704120 0.83 KARS1 (1.00) KARS1KDM4E
SCHEMBL901421 0.83 KARS1 (0.82) KARS1MAPK8MAPK10
SCHEMBL902684 0.83 KARS1 (0.61) 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