SCHEMBL901727

SCHEMBL901727

FC(F)(F)c1ccnc(Nc2cccc(-c3cccc(N4CCNCC4)c3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 6/20 1.00
HTR1A P08908 1/20 0.53
HTR7 P34969 1/20 0.53
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HTR1D P28221 1/20 0.52
HTR2C P28335 1/20 0.52
HTR3A P46098 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
CAMK2D Q13557 1/20 0.51
ADRB1 P08588 1/20 0.47
PHGDH O43175 1/20 0.47
MAP3K12 Q12852 3/20 0.46
CHEK1 O14757 1/20 0.46
SYK P43405 3/20 0.46

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
SCHEMBL901740 0.88 KARS1 (1.00) KARS1ADRB1MAP3K12SYK
SCHEMBL901891 0.85 KARS1 (0.73) KARS1PHGDHSYK
SCHEMBL901632 0.81 KARS1 (1.00) KARS1HTR1AHTR7CAMK2DCHEK1
SCHEMBL902237 0.80 KARS1 (0.67) KARS1PHGDHSYK
SCHEMBL901925 0.80 KARS1 (0.67) KARS1HTR2CMAP3K12SYK
SCHEMBL902737 0.77 KARS1 (0.63) KARS1HTR2CMAP3K12SYK
SCHEMBL1704207 0.76 KARS1 (0.66) KARS1HTR1AHTR7CAMK2DADRB1
SCHEMBL902909 0.76 KARS1 (0.63) KARS1SYK
SCHEMBL1704409 0.73 KARS1 (0.73) KARS1SYK
SCHEMBL10268803 0.73 KARS1 (0.71) KARS1CAMK2DSYK

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