SCHEMBL901632

SCHEMBL901632

c1cc(-c2cccc(Nc3cnccn3)n2)cc(N2CCNCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 15/20 1.00
HTR1A P08908 2/20 0.57
HTR7 P34969 2/20 0.57
CAMK2D Q13557 1/20 0.54
PRKCI P41743 1/20 0.47
CHEK1 O14757 1/20 0.47

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
SCHEMBL902600 0.86 KARS1 (1.00) KARS1
SCHEMBL901876 0.83 KARS1 (0.71) KARS1CAMK2D
SCHEMBL901727 0.81 KARS1 (1.00) KARS1HTR1AHTR7CAMK2DCHEK1
SCHEMBL1704207 0.79 KARS1 (0.66) KARS1HTR1AHTR7CAMK2D
SCHEMBL902750 0.78 KARS1 (0.64) KARS1
SCHEMBL902983 0.78 KARS1 (0.64) KARS1
SCHEMBL901538 0.75 KARS1 (0.60) KARS1
SCHEMBL1704397 0.75 KARS1 (0.77) KARS1
SCHEMBL1704491 0.74 KARS1 (0.70) KARS1
SCHEMBL1704214 0.73 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 4 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
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