SCHEMBL1704693

SCHEMBL1704693

O=C(O)N1CCN(c2cc(-c3cc(NCCCc4ccccc4)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 15/20 0.59
BRAF P15056 1/20 0.42
ACHE P22303 1/20 0.38
PRKD1 Q15139 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
SLC6A7 Q99884 1/20 0.37
SMG1 Q96Q15 1/20 0.37

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
SCHEMBL901759 0.90 KARS1 (0.54) KARS1ACHE
SCHEMBL902211 0.90 KARS1 (0.58) KARS1PRKD1PRKD2
SCHEMBL901935 0.88 KARS1 (0.65) KARS1
SCHEMBL901439 0.87 KARS1 (0.55) KARS1
SCHEMBL901800 0.85 KARS1 (0.78) KARS1
SCHEMBL1704272 0.84 KARS1 (0.74) KARS1BRAFSLC6A7
SCHEMBL902003 0.84 KARS1 (0.61) KARS1PRKD1PRKD2SLC6A7SMG1
SCHEMBL901421 0.84 KARS1 (0.82) KARS1PRKD1PRKD2SLC6A7
SCHEMBL901834 0.84 KARS1 (0.82) KARS1
SCHEMBL901757 0.83 KARS1 (0.66) KARS1BRAF

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