SCHEMBL902211

SCHEMBL902211

CCCCNc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 17/20 0.58
DYRK1A Q13627 1/20 0.38
PRKD1 Q15139 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
SYK P43405 1/20 0.37

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
SCHEMBL901439 0.91 KARS1 (0.55) KARS1DYRK1ASYK
SCHEMBL1704693 0.90 KARS1 (0.59) KARS1PRKD1PRKD2
SCHEMBL1705090 0.89 KARS1 (0.54) KARS1SYK
SCHEMBL1704272 0.88 KARS1 (0.74) KARS1DYRK1A
SCHEMBL901757 0.87 KARS1 (0.66) KARS1DYRK1ASYK
SCHEMBL901852 0.86 KARS1 (0.77) KARS1PRKD1PRKD2
SCHEMBL901800 0.85 KARS1 (0.78) KARS1DYRK1ASYK
SCHEMBL902091 0.85 KARS1 (0.58) KARS1PRKD1PRKD2SYK
SCHEMBL902630 0.83 KARS1 (0.52) KARS1SYK
SCHEMBL901988 0.83 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 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