SCHEMBL4698140

SCHEMBL4698140

Fc1ccc(CNc2ncc3ncn(-c4cc(C5CC5)[nH]n4)c3n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 11/20 0.66
NUAK1 O60285 1/20 0.46
IGF1R P08069 8/20 0.43
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CYP2C19 P33261 1/20 0.38
CASP7 P55210 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL4696455 0.86 NTRK1 (0.64) NTRK1NUAK1
SCHEMBL4695215 0.84 NUAK1 (0.61) NTRK1NUAK1IGF1R
SCHEMBL3705689 0.83 NTRK1 (0.68) NTRK1
SCHEMBL27709595 0.83 NTRK1 (0.68) NTRK1
SCHEMBL4696858 0.83 NTRK1 (0.81) NTRK1IGF1R
SCHEMBL27689887 0.83 NTRK1 (0.81) NTRK1IGF1R
SCHEMBL4696821 0.83 NTRK1 (0.81) NTRK1IGF1R
SCHEMBL3812515 0.80 NTRK1 (1.00) NTRK1
SCHEMBL3772425 0.80 NTRK1 (1.00) NTRK1
SCHEMBL4697195 0.79 NTRK1 (0.47) NTRK1NUAK1ALDH1A1LMNAMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853588-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-18 EP disclosed
CN-101119988-A Chemical compound ASTRAZENECA AB (SE) 2008-02-06 CN disclosed