SCHEMBL8660822

SCHEMBL8660822

Cc1cc(C)nc(NC(=O)c2ccncc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.63
CHRNB4 P30926 1/20 0.63
CHRNA3 P32297 1/20 0.63
CHRNA4 P43681 1/20 0.63
LCK P06239 1/20 0.57
MAPT P10636 3/20 0.52
LMNA P02545 1/20 0.52
SORT1 Q99523 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
PKM P14618 1/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 1/20 0.51
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
NPC1 O15118 1/20 0.50
GBA1 P04062 1/20 0.50

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
SCHEMBL3362301 0.86 CHRNB2 (0.64) CHRNB2CHRNB4CHRNA3CHRNA4LCK
SCHEMBL14097068 0.85 LCK (0.66) CHRNB2CHRNB4CHRNA3CHRNA4LCK
SCHEMBL12549321 0.81 LCK (0.60) CHRNB2CHRNB4CHRNA3CHRNA4LCK
SCHEMBL23657484 0.81 CHRNB2 (0.74) CHRNB2CHRNB4CHRNA3CHRNA4LCK
SCHEMBL14082482 0.80 DEGS1 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL15045375 0.80 GRM5 (0.76) CHRNB2CHRNB4CHRNA3CHRNA4LCK
SCHEMBL14082289 0.78 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4LCK
SCHEMBL14082903 0.77 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4LCK
SCHEMBL14082158 0.77 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL12549340 0.77 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1053904-C Novel N-pyridyl carboxamides and derivatives, processes for their preparation and the pharmaceutical compositions which contain them ADIR (FR) 2000-06-28 CN disclosed
US-5843947-A N-pyridyl carboxamides and derivatives ADIR ET COMPAGNIE (FR) 1998-12-01 US disclosed
US-5712294-A N-pyridyl carboxamides and derivatives ADIR ET COMPAGNIE (FR) 1998-01-27 US disclosed
EP-0684241-B1 N-pyridyl carboxamide derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 1997-08-27 EP disclosed
CN-1121074-A Novel N-pyridyl carboxamides and derivatives, processes for their preparation and the pharmaceutical compositions which contain them ADIR (FR) 1996-04-24 CN disclosed
EP-0684241-A1 N-pyridyl carboxamide derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-11-29 EP disclosed