SCHEMBL1704560

SCHEMBL1704560

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

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 14/20 0.74
PRKD1 Q15139 6/20 0.48
PRKD2 Q9BZL6 6/20 0.48
ADRB1 P08588 1/20 0.47

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
SCHEMBL901927 0.91 KARS1 (0.73) KARS1PRKD1PRKD2
SCHEMBL1755690 0.91 KARS1 (0.73) KARS1PRKD1PRKD2
SCHEMBL902767 0.91 KARS1 (0.91) KARS1PRKD1PRKD2
SCHEMBL10267664 0.89 KARS1 (0.77) KARS1PRKD1PRKD2
SCHEMBL901911 0.88 KARS1 (0.74) KARS1PRKD1PRKD2ADRB1
SCHEMBL901191 0.86 KARS1 (0.70) KARS1PRKD1PRKD2
SCHEMBL902022 0.86 KARS1 (0.57) KARS1
SCHEMBL1704120 0.85 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL902684 0.85 KARS1 (0.61) KARS1PRKD1PRKD2ADRB1
SCHEMBL902918 0.84 KARS1 (0.58) 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 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 claimed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed