SCHEMBL902767

SCHEMBL902767

O=C(O)[C@H]1CC[C@H](C(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCNCC4)c3)c2)CC1

nearest known ligand 0.91

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 15/20 0.91
AURKA O14965 1/20 0.45
RIPK1 Q13546 1/20 0.45
PRKD1 Q15139 1/20 0.45
PRKD2 Q9BZL6 1/20 0.45
KDM4E B2RXH2 2/20 0.44
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43

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
SCHEMBL1704120 0.95 KARS1 (1.00) KARS1AURKARIPK1PRKD1PRKD2
SCHEMBL10267664 0.92 KARS1 (0.77) KARS1PRKD1PRKD2
SCHEMBL1704560 0.91 KARS1 (0.74) KARS1PRKD1PRKD2
SCHEMBL902773 0.90 KARS1 (1.00) KARS1KDM4E
SCHEMBL901349 0.89 KARS1 (0.80) KARS1PRKD1PRKD2
SCHEMBL901889 0.87 KARS1 (0.81) KARS1PRKD1PRKD2
SCHEMBL901191 0.86 KARS1 (0.70) KARS1PRKD1PRKD2
SCHEMBL901763 0.85 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL901620 0.84 KARS1 (1.00) KARS1PRKD1PRKD2GSK3BDYRK1A
SCHEMBL1755644 0.84 KARS1 (0.76) KARS1PRKD1PRKD2

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 3 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 claimed
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