SCHEMBL28025174

SCHEMBL28025174

BrC1COCCN1c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.41
CHRNA4 P43681 11/20 0.41
CHRNB4 P30926 5/20 0.41
CHRNA3 P32297 5/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
MTOR P42345 1/20 0.39
CHEK1 O14757 1/20 0.38
ATR Q13535 1/20 0.38
PDCD1 Q15116 1/20 0.38
ATRIP Q8WXE1 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
PIK3C3 Q8NEB9 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
SCHEMBL30516424 0.82 MTOR (0.52) MTORCHEK1ATRPDCD1ATRIP
SCHEMBL27866890 0.82 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL137068 0.80 LMNA (0.47) MAPTPIK3C3
SCHEMBL28024733 0.75 POLB (0.35) MAPTHTT
SCHEMBL29442130 0.72 CHRNB2 (0.59) CHRNB2CHRNA4MAPTHTT
SCHEMBL256566 0.72 CHRNB2 (0.59) CHRNB2CHRNA4MAPTHTT
SCHEMBL28024741 0.71 HTR3A (0.33) PIK3C3
SCHEMBL27866878 0.71 GRIN2D (0.40) MTORATRATRIPPIK3C3
SCHEMBL28024746 0.71 PIK3CD (0.36) HTTMTORATRPIK3C3
SCHEMBL4350327 0.70 LMNA (0.62) CHRNB2CHRNA4MAPTHTT

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
CN-105143209-A Biaryl amide compounds as kinase inhibitors NOVARTIS AG 2015-12-09 CN disclosed