SCHEMBL902003

SCHEMBL902003

O=C(O)N1CCN(c2cc(-c3cc(-c4ccccc4)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 15/20 0.61
SLC6A7 Q99884 1/20 0.48
FAAH O00519 1/20 0.44
SMG1 Q96Q15 1/20 0.41
PRKD1 Q15139 1/20 0.41
PRKD2 Q9BZL6 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL901752 0.89 KARS1 (0.73) KARS1SLC6A7PRKD1PRKD2
SCHEMBL902071 0.89 KARS1 (0.72) KARS1
SCHEMBL1704341 0.88 KARS1 (0.55) KARS1
SCHEMBL902013 0.87 KARS1 (0.58) KARS1SMG1PRKD1PRKD2
SCHEMBL901988 0.87 KARS1 (0.55) KARS1SLC6A7FAAH
SCHEMBL1704272 0.87 KARS1 (0.74) KARS1SLC6A7
SCHEMBL901421 0.87 KARS1 (0.82) KARS1SLC6A7FAAHPRKD1PRKD2
SCHEMBL901757 0.86 KARS1 (0.66) KARS1
SCHEMBL902224 0.86 KARS1 (0.55) KARS1SMG1LMNAMAPK1
SCHEMBL901857 0.86 KARS1 (0.57) KARS1SLC6A7PRKD1PRKD2

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