SCHEMBL901688

SCHEMBL901688

CC1CNCCN1c1cc(-c2nc(Nc3cnccn3)cc3ccccc23)ccn1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 14/20 0.48
LATS1 O95835 1/20 0.41
ROCK1 Q13464 3/20 0.38
ROCK2 O75116 1/20 0.38
PRKCI P41743 1/20 0.37
SPAST Q9UBP0 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
SCHEMBL901300 0.87 KARS1 (0.49) KARS1PRKCI
SCHEMBL1755670 0.86 KARS1 (0.40) KARS1ROCK1ROCK2
SCHEMBL901236 0.86 KARS1 (0.40) KARS1ROCK1ROCK2
SCHEMBL901708 0.85 KARS1 (0.66) KARS1
SCHEMBL12469691 0.81 KARS1 (0.72) KARS1LATS1ROCK1ROCK2
SCHEMBL902716 0.80 KARS1 (0.46) KARS1
SCHEMBL901301 0.80 KARS1 (0.46) KARS1
SCHEMBL1704237 0.80 WNT1 (0.41) KARS1ROCK1ROCK2
SCHEMBL1755675 0.80 WNT1 (0.41) KARS1ROCK1ROCK2
SCHEMBL901736 0.80 KARS1 (0.51) 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 3 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
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