SCHEMBL1704352

SCHEMBL1704352

CC(C)(C)OC(=O)N1CC=C(c2cccc(-c3cc(-c4ccccc4)cc(Nc4cnccn4)n3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 6/20 0.46
GRM5 P41594 6/20 0.46
NAMPT P43490 1/20 0.44
PDE10A Q9Y233 2/20 0.43
CYP11B2 P19099 1/20 0.43
PDK4 Q16654 1/20 0.43
WNT3A P56704 1/20 0.42
TNK2 Q07912 1/20 0.42
JAK1 P23458 1/20 0.42
SYK P43405 1/20 0.42
BTK Q06187 1/20 0.42
KARS1 Q15046 1/20 0.41

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
SCHEMBL1705279 0.91 GRM1 (0.47) GRM1GRM5NAMPTPDE10ACYP11B2
SCHEMBL1705115 0.90 KARS1 (0.55) GRM1GRM5NAMPTPDE10AWNT3A
SCHEMBL901948 0.88 KARS1 (0.46) NAMPTSYKKARS1
SCHEMBL902803 0.86 PDE10A (0.45) GRM1GRM5NAMPTPDE10ACYP11B2
SCHEMBL1704574 0.85 KARS1 (0.48) GRM1GRM5NAMPTCYP11B2WNT3A
SCHEMBL902874 0.84 KARS1 (0.43) GRM1GRM5NAMPTPDE10ACYP11B2
SCHEMBL902876 0.84 KARS1 (0.43) GRM1GRM5NAMPTPDE10ACYP11B2
SCHEMBL1704903 0.84 GRM1 (0.45) GRM1GRM5NAMPTPDE10APDK4
SCHEMBL1704897 0.83 KARS1 (0.42) GRM1GRM5NAMPTPDE10APDK4
SCHEMBL1704430 0.83 KARS1 (0.49) GRM1GRM5CYP11B2WNT3ATNK2

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