SCHEMBL27344779

SCHEMBL27344779

CC(=O)N(Nc1cc(N)cc(Br)c1)c1ccncc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 4/20 0.33
GAA P10253 2/20 0.33
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
NTRK1 P04629 1/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
JAK2 O60674 1/20 0.32
TYK2 P29597 1/20 0.32
PKN1 Q16512 1/20 0.31
PKN2 Q16513 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 3/20 0.30
TDP1 Q9NUW8 1/20 0.30
POLB P06746 1/20 0.30
EPHX1 P07099 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL1992521 0.67 ALDH1A1 (0.55) KMT2AALDH1A1GAAHTTMAPT
SCHEMBL7334697 0.67 GRK2 (0.44) KMT2AALDH1A1GAAROCK2ROCK1
SCHEMBL7143432 0.62 FSCN1 (0.36) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL744075 0.62 RAB9A (0.65) KMT2AHTTMAPTNPSR1SMN1; SMN2
SCHEMBL31118681 0.61 SMN1; SMN2 (0.43) ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL30417525 0.60 KMT2A (0.49) KMT2AALDH1A1HTTMAPTNPSR1
SCHEMBL3927134 0.60 CYP17A1 (0.50) KMT2AALDH1A1GAAHTTNTRK1
SCHEMBL24269714 0.60 HTR6 (0.50) ALDH1A1GAAMAPT
SCHEMBL10338665 0.60 CHRM5 (0.48) KMT2AALDH1A1GAAROCK2ROCK1
SCHEMBL9015374 0.59 TSHR (0.46) KMT2AALDH1A1GAAHTTMAPT

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
CN-1046710-C New 4-aminopyridines, process for preparing the same and medicaments containing the same LUOHE DIAGNOSTIC EQUIPMENT CO (DE) 1999-11-24 CN disclosed
CN-1119858-A Aminopyridines, process for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM GMBH (DE) 1996-04-03 CN disclosed