SCHEMBL625541

SCHEMBL625541

CN(C)c1cccc(-c2cn3nc(NC4CC5(CCNCC5)C4)sc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.47
F2RL3 Q96RI0 5/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35
TP53 P04637 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
AURKA O14965 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GFER P55789 1/20 0.33
DCTPP1 Q9H773 1/20 0.33

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
SCHEMBL624979 0.85 ADORA2A (0.38) F2RL3TP53HSD17B10
SCHEMBL625549 0.84 F2RL3 (0.51) F2RL3AURKA
SCHEMBL625540 0.82 FYN (0.68) FYN
SCHEMBL625561 0.82 PIM1 (0.49) F2RL3
SCHEMBL1944344 0.81 FYN (0.67) FYNF2RL3TP53SMN1; SMN2NPC1
SCHEMBL626108 0.74 MAP3K12 (0.42)
SCHEMBL624904 0.72 F2RL3 (0.41) FYNF2RL3JAK2JAK3PTK2
SCHEMBL1946623 0.71 RAB9A (0.47) FYNF2RL3TP53SMN1; SMN2NPC1
SCHEMBL1948061 0.71 FYN (0.48) FYNF2RL3TP53SMN1; SMN2NPC1
SCHEMBL1946917 0.71 FYN (0.52) FYNF2RL3TP53

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