SCHEMBL902093

SCHEMBL902093

O=C(O)NCCc1cccc(-c2cc3ccccc3c(Nc3cnccn3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
HIF1A Q16665 2/20 0.39
PTGFR P43088 1/20 0.39
NAMPT P43490 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
BRAF P15056 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GBA1 P04062 1/20 0.38
TACR3 P29371 1/20 0.38

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
SCHEMBL1704403 0.84 KARS1 (0.47) SIRT2MEN1KMT2AGBA1
SCHEMBL902028 0.84 CA12 (0.45) TP53RAB9ATRPV1
SCHEMBL1704516 0.83 SIRT2 (0.36) TP53SIRT2ADORA3BRAFMEN1
SCHEMBL901872 0.82 KARS1 (0.52) RAB9AGAASIRT2HIF1ANAMPT
SCHEMBL901364 0.71 KARS1 (0.48) SIRT2
SCHEMBL22501673 0.69 PIM2 (0.52) NPC1KMT2A
SCHEMBL902035 0.69 KARS1 (0.48) SIRT2
SCHEMBL12469132 0.69 KARS1 (0.72) RAB9AMAPTKDM4ELMNAMEN1
SCHEMBL1704065 0.68 KARS1 (0.48)
SCHEMBL901986 0.68 SYK (0.50)

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