SCHEMBL625257

SCHEMBL625257

CC(=O)c1cccc(-c2cn3nc(NCC4CCN(C)CC4)sc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.47
PIM1 P11309 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
MAP4K4 O95819 1/20 0.43
VNN1 O95497 1/20 0.41
VCP P55072 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.40
MELK Q14680 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 2/20 0.40
NR5A2 O00482 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39

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
SCHEMBL2250766 0.93 FYN (0.53) FYNPIM1PIM2VCPMAPT
SCHEMBL1945954 0.89 FYN (0.56) FYNPIM1PIM2VCPIRAK4
SCHEMBL1946517 0.84 FYN (0.66) FYNPIM1PIM2VCPIRAK4
SCHEMBL625324 0.83 MAPT (0.42) PIM1MELKMAPTTHRBNPC1
SCHEMBL1945872 0.83 FYN (0.47) FYNPIM1PIM2MAPTTHRB
SCHEMBL1946038 0.83 FYN (0.68) FYNPIM1PIM2SMN1; SMN2
SCHEMBL623807 0.81 ALDH1A1 (0.40) FYNPIM1PIM2MAP4K4MAPT
SCHEMBL625256 0.81 FYN (0.72) FYNPIM1PIM2
SCHEMBL1944937 0.80 FYN (0.51) FYNMAP4K4MAPTNPC1RAB9A
SCHEMBL625205 0.80 F2RL3 (0.53) FYNPIM1VCP

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