SCHEMBL901969

SCHEMBL901969

COC(=O)[C@H]1CC[C@H](C(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCN(C(=O)O)CC4)c3)c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.70
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 3/20 0.44
MAPK8 P45983 1/20 0.42
MAPK10 P53779 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
SCHEMBL902918 0.92 KARS1 (0.58) KARS1KDM4E
SCHEMBL902991 0.91 KARS1 (0.67) KARS1TP53MEN1KMT2AKDM4E
SCHEMBL1704905 0.90 KARS1 (0.83) KARS1TP53MEN1KMT2AKDM4E
SCHEMBL902572 0.88 KARS1 (0.69) KARS1TP53MEN1KMT2AKDM4E
SCHEMBL901397 0.87 KARS1 (0.55) KARS1KDM4E
SCHEMBL901757 0.86 KARS1 (0.66) KARS1
SCHEMBL1704902 0.85 KARS1 (0.73) KARS1TP53MEN1KMT2AKDM4E
SCHEMBL1704775 0.84 KARS1 (0.57) KARS1KDM4E
SCHEMBL1704272 0.84 KARS1 (0.74) KARS1
SCHEMBL902079 0.83 KARS1 (0.70) KARS1MEN1KMT2A

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 2 patents. 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
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed