SCHEMBL902993

SCHEMBL902993

O=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 16/20 0.78
PRKD1 Q15139 2/20 0.43
PRKD2 Q9BZL6 2/20 0.43
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PRKD3 O94806 1/20 0.42

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
SCHEMBL1755676 0.91 KARS1 (0.66) KARS1PRKD1PRKD2PRKD3
SCHEMBL901557 0.90 KARS1 (0.65) KARS1CASP3SENP7NPC1RAB9A
SCHEMBL901620 0.88 KARS1 (1.00) KARS1PRKD1PRKD2PRKD3
SCHEMBL901595 0.87 KARS1 (0.86) KARS1PRKD1PRKD2PRKD3
SCHEMBL1704268 0.87 KARS1 (1.00) KARS1PRKD1PRKD2PRKD3
SCHEMBL901763 0.87 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL1704280 0.86 KARS1 (0.58) KARS1
SCHEMBL901742 0.86 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL902055 0.85 KARS1 (0.88) KARS1PRKD1PRKD2
SCHEMBL901905 0.85 KARS1 (0.80) 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