SCHEMBL1704064

SCHEMBL1704064

COCCOc1ccnc(Nc2cccc(-c3cccc(CCN)c3)n2)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 12/20 0.69
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
PRKACA P17612 1/20 0.38
PRKCD Q05655 1/20 0.38
DYRK1A Q13627 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
KDR P35968 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
BRAF P15056 1/20 0.36
SLC5A1 P13866 1/20 0.36
SYK P43405 1/20 0.35

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
SCHEMBL10268805 0.86 KARS1 (0.69) KARS1TAAR1
SCHEMBL901844 0.85 KARS1 (0.52) KARS1ROCK2ROCK1SLC5A1
SCHEMBL902772 0.82 KARS1 (1.00) KARS1KDRTAAR1SYK
SCHEMBL1704269 0.81 KARS1 (0.47) KARS1ROCK2ROCK1KDRSLC5A1
SCHEMBL902820 0.79 KARS1 (0.74) KARS1SYK
SCHEMBL902073 0.77 KARS1 (0.71) KARS1TAAR1SYK
SCHEMBL902681 0.76 KARS1 (0.70) KARS1KDR
SCHEMBL902781 0.73 KARS1 (1.00) KARS1KDRSYK
SCHEMBL26985792 0.72 TAAR1 (0.67) TAAR1
SCHEMBL1704696 0.72 KARS1 (0.67) KARS1KDRTAAR1

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 claimed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed