SCHEMBL901857

SCHEMBL901857

NCc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 15/20 0.57
DYRK1A Q13627 1/20 0.40
CHEK1 O14757 1/20 0.40
CHEK2 O96017 1/20 0.40
PRKD1 Q15139 2/20 0.39
SLC6A7 Q99884 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38

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
SCHEMBL901988 0.92 KARS1 (0.55) KARS1DYRK1ASLC6A7
SCHEMBL901752 0.88 KARS1 (0.73) KARS1DYRK1APRKD1SLC6A7PRKD2
SCHEMBL1704675 0.88 KARS1 (0.51) KARS1
SCHEMBL1704555 0.86 KARS1 (0.46) KARS1
SCHEMBL902003 0.86 KARS1 (0.61) KARS1PRKD1SLC6A7PRKD2
SCHEMBL902013 0.85 KARS1 (0.58) KARS1PRKD1PRKD2
SCHEMBL1704272 0.85 KARS1 (0.74) KARS1DYRK1ASLC6A7
SCHEMBL902060 0.84 KARS1 (0.53) KARS1DYRK1ASLC6A7
SCHEMBL902071 0.84 KARS1 (0.72) KARS1
SCHEMBL902224 0.84 KARS1 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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