SCHEMBL4698162

SCHEMBL4698162

Nc1ccc(NCc2ccc(F)cc2)c(-c2cc(C3CC3)[nH]n2)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.44
MKNK1 Q9BUB5 3/20 0.44
MKNK2 Q9HBH9 3/20 0.44
MAPK1 P28482 1/20 0.36
IGF1R P08069 1/20 0.35
NUAK1 O60285 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
MAP2K4 P45985 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
MCHR1 Q99705 1/20 0.34
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNQ3 O43525 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
SCHEMBL4696420 0.76 NTRK1 (0.51) NTRK1MKNK1MKNK2IGF1R
SCHEMBL2566466 0.75 NTRK1 (0.48) NTRK1MKNK1MKNK2IGF1RNUAK1
SCHEMBL2569963 0.75 NTRK1 (0.48) NTRK1MKNK1MKNK2MAPK1IGF1R
SCHEMBL3137650 0.72 HTT (0.48) NTRK1MKNK1MKNK2MAPK1SMN1; SMN2
SCHEMBL4097106 0.72 MAOB (0.39) NTRK1MAPK1HDAC1HDAC2MAP2K4
SCHEMBL4696504 0.69 CYP1A2 (0.49) NTRK1MKNK1MKNK2MAPK1SMN1; SMN2
SCHEMBL2207390 0.69 NTRK1 (0.44) NTRK1MKNK1MKNK2IGF1RNUAK1
SCHEMBL19806143 0.68 MKNK1 (0.82) MKNK1MKNK2DRD2DRD4DRD3
SCHEMBL17749207 0.68 KCNQ3 (0.56) MAPK1SMN1; SMN2KCNQ3KCNQ2
SCHEMBL2577693 0.68 PRKCQ (0.44) NTRK1MKNK1MKNK2IGF1RNUAK1

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