SCHEMBL2666044

SCHEMBL2666044

Cc1ccc(F)c(-c2nnnn2C)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
PIM1 P11309 1/20 0.41
SRC P12931 1/20 0.41
GSK3A P49840 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LRRK2 Q5S007 1/20 0.35
KMO O15229 1/20 0.35
TGFBR1 P36897 1/20 0.35
KCNN4 O15554 3/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL17359685 0.76 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4001656 0.73 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1L3MBTL1HIF1ANPSR1
SCHEMBL1630077 0.73 HIF1A (0.48) SMN1; SMN2ALDH1A1L3MBTL1HIF1ANPSR1
SCHEMBL11590602 0.73 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL13447860 0.72 PDE2A (0.43) SMN1; SMN2NISCHALDH1A1HIF1ANPSR1
SCHEMBL11590609 0.72 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL29901001 0.72 NISCH (0.52) SMN1; SMN2PIM1SRCGSK3ANISCH
SCHEMBL13830012 0.72 NISCH (0.52) SMN1; SMN2PIM1SRCGSK3ANISCH
SCHEMBL19207105 0.71 CSNK2A1 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AHIF1A
SCHEMBL12763610 0.71 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1L3MBTL1KCNN4

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-2002074773-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 WO disclosed