SCHEMBL1755684

SCHEMBL1755684

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

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 17/20 0.78
PRKD1 Q15139 3/20 0.44
PRKD2 Q9BZL6 3/20 0.44

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
SCHEMBL901889 0.92 KARS1 (0.81) KARS1PRKD1PRKD2
SCHEMBL1755641 0.88 KARS1 (0.82) KARS1PRKD1PRKD2
SCHEMBL1755643 0.88 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL1755674 0.86 KARS1 (0.85) KARS1PRKD1PRKD2
SCHEMBL1704120 0.85 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL1755609 0.85 KARS1 (0.75) KARS1PRKD1PRKD2
SCHEMBL1755687 0.85 KARS1 (0.83) KARS1PRKD1PRKD2
SCHEMBL1704268 0.84 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL901763 0.84 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL10267664 0.84 KARS1 (0.77) 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 1 patent. 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