SCHEMBL7934185

SCHEMBL7934185

Cc1cn2cc(C(=O)Nc3cccnc3)nc(-c3cccc(Cl)c3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
TP53 P04637 1/20 0.54
POLB P06746 1/20 0.54
CYP11B2 P19099 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
BRAF P15056 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 1/20 0.45
TSHR P16473 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
KCNMA1 Q12791 1/20 0.44
CSF1R P07333 1/20 0.44
HPGD P15428 2/20 0.44
PPARG P37231 2/20 0.44
NCOA2 Q15596 2/20 0.44
NCOA1 Q15788 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL7929311 0.86 ROCK1 (0.47) MAPTTP53POLBSMN1; SMN2NPC1
SCHEMBL7932093 0.85 ROCK1 (0.43) MAPTTP53POLBKMT2AMEN1
SCHEMBL7930350 0.84 POLB (0.51) MAPTTP53POLBCYP11B2SMN1; SMN2
SCHEMBL7928073 0.80 TRPV1 (0.42)
SCHEMBL7930900 0.78 MAPT (0.49) MAPTTP53POLBSMN1; SMN2HSD17B10
SCHEMBL1938962 0.74 MAPT (0.61) MAPTTP53POLBCYP11B2NPC1
SCHEMBL30428550 0.74 MAPT (0.61) MAPTTP53POLBCYP11B2NPC1
SCHEMBL1938152 0.73 MAPT (0.69) MAPTTP53POLBCYP11B2SMN1; SMN2
SCHEMBL7930354 0.73 SMN1; SMN2 (0.47) MAPTPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL7934017 0.72 NPC1 (0.53) MAPTPOLBSMN1; SMN2NPC1RAB9A

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-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed