SCHEMBL901353

SCHEMBL901353

O=C(O)N1CCN(c2cc(-c3nc(Nc4ccncn4)cc4ccccc34)ccn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
FAAH O00519 2/20 0.41
KARS1 Q15046 2/20 0.39
MAPK10 P53779 3/20 0.37
TSHR P16473 3/20 0.37
MAPK14 Q16539 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RCE1 Q9Y256 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ROCK1 Q13464 1/20 0.36
PARP1 P09874 1/20 0.36
SCN9A Q15858 1/20 0.36
LRRK2 Q5S007 1/20 0.36
KRAS P01116 2/20 0.36
ALDH1A1 P00352 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
SCHEMBL1705250 0.87 ACHE (0.47) LRRK2
SCHEMBL901702 0.87 KARS1 (0.51) MAPK1LMNAFAAHKARS1MAPK10
SCHEMBL901954 0.86 FAAH (0.41) MAPK1LMNAFAAHKARS1MAPK10
SCHEMBL901949 0.85 KARS1 (0.48) KARS1KMT2APARP1
SCHEMBL902548 0.85 JAK2 (0.41) KARS1PARP1LRRK2KRAS
SCHEMBL1704872 0.85 KARS1 (0.48) KARS1MAPK14LRRK2
SCHEMBL901573 0.81 MAPK1 (0.42) MAPK1LMNAMAPK10TSHRKDM4E
SCHEMBL901704 0.75 CKS1B (0.48) KARS1LRRK2
SCHEMBL901890 0.75 KARS1 (0.45) MAPK1LMNAFAAHKARS1
SCHEMBL902751 0.74 CKS1B (0.47) 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 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 disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed