SCHEMBL7306815

SCHEMBL7306815

Nc1cnc2c(-c3ccc(Cl)cc3)cccn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.56
RAB9A P51151 8/20 0.56
KMT2A Q03164 8/20 0.56
MEN1 O00255 7/20 0.56
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 5/20 0.56
MAPT P10636 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
RXFP1 Q9HBX9 2/20 0.46
ALDH1A2 O94788 1/20 0.43
ALDH1A3 P47895 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.42
CHEK1 O14757 1/20 0.41
DAPK3 O43293 1/20 0.41
ABL1 P00519 1/20 0.41
PRKACA P17612 1/20 0.41

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
SCHEMBL7313168 0.76 TSHR (0.49) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL31669620 0.76 KDM4E (0.45) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL7317057 0.76 RAB9A (0.44) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL4779545 0.72 RAB9A (1.00) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL17541018 0.69 KDM4E (0.46) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL7317792 0.69 ALDH1A3 (0.54) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL2251442 0.69 JAK2 (0.70) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL3236843 0.68 RAB9A (0.45) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL5340648 0.66 RAB9A (0.49) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL12970469 0.66 USP7 (0.43) MAPTCHEK1DAPK3ABL1PRKACA

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
US-4596872-A Imidazo[1,2-a]pyridines, and process for their preparation SCHERING A.G. (DE) 1986-06-24 US claimed
US-4596872-A Imidazo[1,2-a]pyridines, and process for their preparation SCHERING A.G. (DE) 1986-06-24 US disclosed