SCHEMBL901789

SCHEMBL901789

O=C(O)C[C@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCNCC4)c3)c2)c1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 17/20 0.75
PRKD1 Q15139 2/20 0.42
PRKD2 Q9BZL6 2/20 0.42
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39

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
SCHEMBL901878 0.91 KARS1 (0.69) KARS1PRKD1PRKD2
SCHEMBL901968 0.91 KARS1 (0.65) KARS1PRKD1PRKD2
SCHEMBL902055 0.86 KARS1 (0.88) KARS1PRKD1PRKD2CDK7CCNH
SCHEMBL901763 0.86 KARS1 (1.00) KARS1PRKD1PRKD2CDK7CCNH
SCHEMBL901423 0.85 KARS1 (0.71) KARS1PRKD1PRKD2
SCHEMBL1704682 0.85 KARS1 (0.71) KARS1PRKD1PRKD2
SCHEMBL1705340 0.84 KARS1 (0.57) KARS1
SCHEMBL1755640 0.84 KARS1 (0.69) KARS1PRKD1PRKD2
SCHEMBL1704239 0.84 KARS1 (0.56) KARS1
SCHEMBL901750 0.83 KARS1 (0.81) KARS1PRKD1PRKD2CDK7CCNH

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 5 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
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO claimed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
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