SCHEMBL901966

SCHEMBL901966

O=C(O)N1CCN(c2cc(-c3cc(NC(=O)N4CCc5ccccc5C4)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.61
NAMPT P43490 5/20 0.47
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 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
SCHEMBL902898 0.91 KARS1 (0.72) KARS1NAMPTROCK2
SCHEMBL1704968 0.90 KARS1 (0.54) KARS1NAMPT
SCHEMBL901421 0.85 KARS1 (0.82) KARS1
SCHEMBL901757 0.85 KARS1 (0.66) KARS1
SCHEMBL1704272 0.82 KARS1 (0.74) KARS1
SCHEMBL902036 0.82 KARS1 (0.81) KARS1
SCHEMBL902003 0.82 KARS1 (0.61) KARS1
SCHEMBL901935 0.82 KARS1 (0.65) KARS1
SCHEMBL901801 0.81 KARS1 (0.56) KARS1
SCHEMBL901791 0.81 KARS1 (0.81) KARS1

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