SCHEMBL901799

SCHEMBL901799

Oc1ccc(CNc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCNCC4)c3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 17/20 1.00
PRKD1 Q15139 3/20 0.42
PRKD2 Q9BZL6 3/20 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
SCHEMBL901800 0.88 KARS1 (0.78) KARS1
SCHEMBL901852 0.84 KARS1 (0.77) KARS1PRKD1PRKD2
SCHEMBL1755643 0.83 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL901269 0.83 KARS1 (0.70) KARS1PRKD1PRKD2
SCHEMBL901889 0.82 KARS1 (0.81) KARS1PRKD1PRKD2
SCHEMBL1755684 0.81 KARS1 (0.78) KARS1PRKD1PRKD2
SCHEMBL1755690 0.80 KARS1 (0.73) KARS1PRKD1PRKD2
SCHEMBL901927 0.80 KARS1 (0.73) KARS1PRKD1PRKD2
SCHEMBL902410 0.80 KARS1 (0.81) KARS1PRKD1PRKD2
SCHEMBL1755644 0.79 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed