SCHEMBL626983

SCHEMBL626983

CC(C)(C)OC(=O)N1CCC(CNc2nn3cc(-c4cccc(C#N)c4)nc3s2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.44
PRMT5 O14744 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
JAK2 O60674 2/20 0.41
PKM P14618 1/20 0.41
JAK3 P52333 1/20 0.41
PTK2 Q05397 1/20 0.41
GPR119 Q8TDV5 5/20 0.41
ADORA2A P29274 1/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL624058 0.87 JAK2 (0.47) PRMT5KDM4EMAPTJAK2PKM
SCHEMBL628029 0.87 F2RL3 (0.49) PRMT5KDM4EMAPTPKMGPR119
SCHEMBL624533 0.85 PIM1 (0.53) PRMT5KDM4EMAPTPKMKDM1A
SCHEMBL626982 0.84 FYN (0.56) CETPPRMT5KDM4EPKMGPR119
SCHEMBL624037 0.82 CYP2D6 (0.39) JAK2GPR119ADORA2AHSD17B10JAK1
SCHEMBL623852 0.82 FYN (0.42) ADORA2AHSD17B10
SCHEMBL626460 0.79 MAPT (0.46) PRMT5KDM4EMAPTGPR119HPGD
SCHEMBL27614055 0.79 TGFBR1 (0.54) CETPKDM4EPKMGPR119NOTCH1
SCHEMBL627067 0.78 KDM4E (0.46) PRMT5KDM4EMAPTJAK2PKM
SCHEMBL624985 0.78 KDM4E (0.40) PRMT5KDM4EMAPTGPR119HPGD

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
WO-2012020217-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed