SCHEMBL901431

SCHEMBL901431

CC(Cc1ccccc1)C(=O)Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.60
DYRK1A Q13627 2/20 0.36
FAAH O00519 1/20 0.36
PRKD1 Q15139 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
SLC6A7 Q99884 1/20 0.35
GSK3B P49841 1/20 0.35
SMG1 Q96Q15 1/20 0.35

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
SCHEMBL902883 0.91 KARS1 (0.73) KARS1PRKD1PRKD2
SCHEMBL1704481 0.91 KARS1 (0.55) KARS1
SCHEMBL901863 0.88 KARS1 (0.56) KARS1DYRK1AFAAHGSK3B
SCHEMBL1704395 0.86 KARS1 (0.53) KARS1FAAH
SCHEMBL902144 0.86 KARS1 (0.59) KARS1DYRK1AFAAHSMG1
SCHEMBL901757 0.86 KARS1 (0.66) KARS1DYRK1A
SCHEMBL901935 0.86 KARS1 (0.65) KARS1FAAH
SCHEMBL901421 0.84 KARS1 (0.82) KARS1DYRK1AFAAHPRKD1PRKD2
SCHEMBL901834 0.84 KARS1 (0.82) KARS1DYRK1AGSK3B
SCHEMBL1704868 0.83 KARS1 (0.55) 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 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