SCHEMBL1705014

SCHEMBL1705014

O=C(O)N1CC=C(c2cccc(-c3nc(Nc4cnccn4)cc4ccccc34)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
NAMPT P43490 3/20 0.39
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KARS1 Q15046 1/20 0.37
CDK9 P50750 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDR P35968 1/20 0.36
GAA P10253 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
FAAH O00519 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
SCHEMBL902803 0.88 PDE10A (0.45) NAMPTCDK9
SCHEMBL1704967 0.88 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2ALOX15TSHR
SCHEMBL901948 0.85 KARS1 (0.46) ALDH1A1KDM4ESMN1; SMN2NAMPTALOX15
SCHEMBL1704842 0.83 KARS1 (0.52) ALDH1A1KDM4ESMN1; SMN2NAMPTALOX15
SCHEMBL902789 0.81 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2ALOX15TSHR
SCHEMBL901769 0.80 KARS1 (0.60) ALDH1A1SMN1; SMN2NAMPTALOX15TSHR
SCHEMBL901340 0.79 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2ALOX15TSHR
SCHEMBL902213 0.78 KARS1 (0.40) KARS1CDK9KDR
SCHEMBL901702 0.78 KARS1 (0.51) MAPK1KARS1LMNAFAAH
SCHEMBL11963526 0.77 KHK (0.39) ALDH1A1KDM4ESMN1; SMN2NAMPTALOX15

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 1 patent. 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