SCHEMBL901421

SCHEMBL901421

O=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 13/20 0.82
▸ DYRK1A Q13627 1/20 0.45
▸ MAPK8 P45983 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ FAAH O00519 1/20 0.42
▸ SLC6A7 Q99884 1/20 0.41
▸ PRKD1 Q15139 1/20 0.41
▸ PRKD2 Q9BZL6 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40

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
SCHEMBL902036 0.95 KARS1 (0.81) KARS1DYRK1AMAPK8MAPK10
SCHEMBL901833 0.93 KARS1 (0.72) KARS1DYRK1A
SCHEMBL901791 0.93 KARS1 (0.81) KARS1DYRK1A
SCHEMBL902079 0.91 KARS1 (0.70) KARS1DYRK1A
SCHEMBL901804 0.91 KARS1 (0.68) KARS1DYRK1A
SCHEMBL901973 0.91 KARS1 (0.69) KARS1DYRK1A
SCHEMBL902092 0.90 KARS1 (0.68) KARS1
SCHEMBL901763 0.90 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL901757 0.90 KARS1 (0.66) KARS1DYRK1A
SCHEMBL901962 0.89 KARS1 (0.66) KARS1DYRK1A

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
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