SCHEMBL626982

SCHEMBL626982

CC(C)(C)OC(=O)N1CCC(CNc2nn3c(-c4cccc(C#N)c4)cnc3s2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FYN P06241 10/20 0.56
MKNK1 Q9BUB5 1/20 0.47
PIM1 P11309 2/20 0.45
CETP P11597 2/20 0.44
GPR119 Q8TDV5 1/20 0.44
VNN1 O95497 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
PRMT5 O14744 1/20 0.42
EGLN2 Q96KS0 1/20 0.42

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
SCHEMBL628028 0.87 FYN (0.56) FYNMKNK1PIM1KDM4EPKM
SCHEMBL624057 0.87 FYN (0.60) FYNMKNK1PIM1
SCHEMBL624532 0.86 PIM1 (0.62) FYNPIM1
SCHEMBL626983 0.84 CETP (0.44) CETPGPR119KDM4EPKMPRMT5
SCHEMBL624036 0.81 FYN (0.46) FYNPIM1GPR119EGLN2
SCHEMBL623851 0.81 FYN (0.61) FYNMKNK1PIM1
SCHEMBL626459 0.81 FYN (0.59) FYNMKNK1GPR119
SCHEMBL27614055 0.80 TGFBR1 (0.54) CETPGPR119KDM4EPKM
SCHEMBL627066 0.79 KDM4E (0.46) FYNMKNK1GPR119KDM4EPKM
SCHEMBL624984 0.79 PIK3CA (0.48) FYNMKNK1PIM1

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