SCHEMBL902796

SCHEMBL902796

Fc1ccc(Nc2cc3ccccc3c(-c3ccnc(N4CCNCC4)c3)n2)nc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.47
MAPK1 P28482 1/20 0.41
BPTF Q12830 1/20 0.41
ATR Q13535 2/20 0.40
PIM1 P11309 1/20 0.40
CDK6 Q00534 1/20 0.40
DYRK1A Q13627 1/20 0.40
PRKD1 Q15139 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
SCHEMBL1755605 0.89 KARS1 (0.52) KARS1BPTFATRDYRK1APRKD1
SCHEMBL901967 0.87 PRKD1 (0.48) KARS1BPTFATRPIM1DYRK1A
SCHEMBL901954 0.85 FAAH (0.41) KARS1MAPK1DYRK1A
SCHEMBL1704872 0.85 KARS1 (0.48) KARS1BPTFDYRK1APRKD1
SCHEMBL901708 0.85 KARS1 (0.66) KARS1DYRK1APRKD1
SCHEMBL901861 0.83 KARS1 (0.66) KARS1DYRK1APRKD1
SCHEMBL1704806 0.81 CKS1B (0.47)
SCHEMBL902548 0.74 JAK2 (0.41) KARS1PRKD1
SCHEMBL902032 0.73 KARS1 (0.52) KARS1PIM1CDK6PRKD1
SCHEMBL901736 0.73 KARS1 (0.51) KARS1PIM1PRKD1

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