SCHEMBL4697195

SCHEMBL4697195

Fc1ccc(CNc2ccc3ncn(-c4cc(C5CC5)[nH]n4)c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.47
NUAK1 O60285 1/20 0.42
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 1/20 0.39
LMNA P02545 2/20 0.38
PDE2A O00408 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 3/20 0.36
HSD17B10 Q99714 2/20 0.36
HTT P42858 2/20 0.36

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
SCHEMBL57014 0.82 NTRK1 (0.55) NTRK1
SCHEMBL4694092 0.81 NTRK1 (0.48) NTRK1NUAK1CCNT1CDK9
SCHEMBL4696455 0.81 NTRK1 (0.64) NTRK1NUAK1CCNT1CDK9MAPT
SCHEMBL4698140 0.79 NTRK1 (0.66) NTRK1NUAK1LMNAALDH1A1HSD17B10
SCHEMBL4695215 0.77 NUAK1 (0.61) NTRK1NUAK1NTRK3NTRK2
SCHEMBL4698219 0.72 NTRK1 (0.59) NTRK1NUAK1CCNT1CDK9
SCHEMBL56396 0.72 NTRK1 (0.53) NTRK1
SCHEMBL4699080 0.71 NTRK1 (0.52) NTRK1MAPK1
SCHEMBL57840 0.71 NTRK1 (0.59) NTRK1MAPK1
SCHEMBL4698236 0.71 NTRK1 (0.47) NTRK1

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
EP-1853588-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-18 EP disclosed