SCHEMBL12469691

SCHEMBL12469691

C[C@H]1CNCCN1c1cc(-c2cc(N)cc(Nc3cnccn3)n2)ccn1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 16/20 0.72
LATS1 O95835 1/20 0.44
GSK3B P49841 2/20 0.41
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 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
SCHEMBL1704222 0.84 KARS1 (1.00) KARS1
SCHEMBL901738 0.81 KARS1 (0.58) KARS1
SCHEMBL901688 0.81 KARS1 (0.48) KARS1LATS1ROCK2ROCK1
SCHEMBL901752 0.73 KARS1 (0.73) KARS1
SCHEMBL12469310 0.73 KARS1 (0.56) KARS1
SCHEMBL1755643 0.73 KARS1 (1.00) KARS1
SCHEMBL10268986 0.72 KARS1 (0.75) KARS1
SCHEMBL902386 0.72 KARS1 (0.75) KARS1
SCHEMBL1755689 0.72 KARS1 (0.75) KARS1
SCHEMBL902170 0.72 KARS1 (0.77) 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 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