SCHEMBL902918

SCHEMBL902918

COC(=O)[C@H]1CC[C@H](Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCN(C(=O)O)CC4)c3)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.58
KDM4E B2RXH2 1/20 0.44
SYK P43405 5/20 0.42
PRKD1 Q15139 1/20 0.39
PRKD2 Q9BZL6 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
SCHEMBL901969 0.92 KARS1 (0.70) KARS1KDM4E
SCHEMBL902684 0.91 KARS1 (0.61) KARS1SYKPRKD1PRKD2
SCHEMBL1704775 0.91 KARS1 (0.57) KARS1KDM4ESYK
SCHEMBL901397 0.88 KARS1 (0.55) KARS1KDM4ESYK
SCHEMBL902022 0.85 KARS1 (0.57) KARS1SYK
SCHEMBL1704272 0.85 KARS1 (0.74) KARS1
SCHEMBL1704917 0.84 LMNA (0.43) KARS1KDM4EPRKD1PRKD2
SCHEMBL901757 0.84 KARS1 (0.66) KARS1SYK
SCHEMBL1704560 0.84 KARS1 (0.74) KARS1PRKD1PRKD2
SCHEMBL902991 0.83 KARS1 (0.67) KARS1KDM4ESYK

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