SCHEMBL901954

SCHEMBL901954

O=C(O)N1CCN(c2cc(-c3nc(Nc4ccc(F)cn4)cc4ccccc34)ccn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
MAPK10 P53779 3/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.40
KARS1 Q15046 1/20 0.38
MAPK1 P28482 4/20 0.37
DYRK2 Q92630 1/20 0.37
LMNA P02545 1/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 2/20 0.36
RCE1 Q9Y256 1/20 0.36
MTOR P42345 1/20 0.36
DYRK1A Q13627 1/20 0.35
JAK2 O60674 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
PDE4D Q08499 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
SCHEMBL1704806 0.88 CKS1B (0.47) FAAHDYRK2JAK2JAK1
SCHEMBL902548 0.87 JAK2 (0.41) KARS1JAK2JAK1SMO
SCHEMBL901353 0.86 MAPK1 (0.41) FAAHMAPK10KARS1MAPK1LMNA
SCHEMBL901702 0.86 KARS1 (0.51) FAAHMAPK10KARS1MAPK1LMNA
SCHEMBL902796 0.85 KARS1 (0.47) KARS1MAPK1DYRK1A
SCHEMBL901949 0.84 KARS1 (0.48) KARS1SMO
SCHEMBL901573 0.78 MAPK1 (0.42) MAPK10MAPK1LMNAKDM4ETSHR
SCHEMBL1704246 0.76 CKS1B (0.45) DYRK2
SCHEMBL1755605 0.75 KARS1 (0.52) KARS1DYRK1A
SCHEMBL1705250 0.74 ACHE (0.47) JAK2JAK1

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