SCHEMBL901967

SCHEMBL901967

N#Cc1ccc(Nc2cc3ccccc3c(-c3ccnc(N4CCNCC4)c3)n2)nc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 3/20 0.48
PRKD2 Q9BZL6 3/20 0.48
KARS1 Q15046 10/20 0.46
LRRK2 Q5S007 1/20 0.43
ATR Q13535 2/20 0.43
BPTF Q12830 1/20 0.40
PIM1 P11309 1/20 0.40
DYRK1A Q13627 1/20 0.39
KDR P35968 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 0.87 KARS1 (0.52) PRKD1PRKD2KARS1ATRBPTF
SCHEMBL902796 0.87 KARS1 (0.47) PRKD1KARS1ATRBPTFPIM1
SCHEMBL902548 0.87 JAK2 (0.41) PRKD1PRKD2KARS1LRRK2
SCHEMBL1704872 0.85 KARS1 (0.48) PRKD1PRKD2KARS1LRRK2BPTF
SCHEMBL901708 0.83 KARS1 (0.66) PRKD1PRKD2KARS1DYRK1A
SCHEMBL1704246 0.82 CKS1B (0.45) LRRK2
SCHEMBL901861 0.81 KARS1 (0.66) PRKD1PRKD2KARS1DYRK1A
SCHEMBL901954 0.73 FAAH (0.41) KARS1DYRK1A
SCHEMBL902032 0.72 KARS1 (0.52) PRKD1KARS1PIM1
SCHEMBL901353 0.71 MAPK1 (0.41) KARS1LRRK2

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
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO claimed
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