SCHEMBL628029

SCHEMBL628029

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.49
TGFBR1 P36897 4/20 0.46
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
PKM P14618 1/20 0.42
PIM1 P11309 1/20 0.42
PRMT5 O14744 1/20 0.42
SYK P43405 1/20 0.41
KDM1A O60341 1/20 0.41
SCN9A Q15858 1/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL625205 0.90 F2RL3 (0.53) F2RL3PIM1
SCHEMBL624533 0.89 PIM1 (0.53) KDM4EMAPTPKMPIM1PRMT5
SCHEMBL624058 0.88 JAK2 (0.47) TGFBR1KDM4EMAPTPKMPIM1
SCHEMBL626983 0.87 CETP (0.44) KDM4EMAPTPKMPRMT5KDM1A
SCHEMBL17004610 0.86 F2RL3 (0.57) F2RL3PIM1
SCHEMBL623847 0.84 F2RL3 (0.52) F2RL3PIM1MEN1KMT2A
SCHEMBL628028 0.83 FYN (0.56) TGFBR1KDM4EPKMPIM1CCNA2
SCHEMBL623578 0.83 F2RL3 (0.48) F2RL3PIM1MEN1ALDH1A1KMT2A
SCHEMBL624985 0.83 KDM4E (0.40) KDM4EMAPTPRMT5SYKMEN1
SCHEMBL624031 0.83 F2RL3 (0.50) F2RL3PIM1GAAACKR3

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