SCHEMBL5208301

SCHEMBL5208301

COc1ccccc1C(=O)Nc1ccc2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 5/20 0.57
KCNK9 Q9NPC2 5/20 0.57
KMT2A Q03164 4/20 0.54
POLB P06746 3/20 0.54
MEN1 O00255 3/20 0.54
RXFP1 Q9HBX9 1/20 0.54
RAB9A P51151 5/20 0.53
MAPT P10636 5/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CASP3 P42574 2/20 0.52
KCNQ2 O43526 1/20 0.52
NPC1 O15118 4/20 0.51
KDM4E B2RXH2 1/20 0.51
TP53 P04637 2/20 0.51
TSHR P16473 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 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
SCHEMBL5207022 0.85 MAOA (0.55) KCNK3KCNK9KMT2AMEN1RAB9A
SCHEMBL4487398 0.83 KIT (0.65) KCNK3KCNK9ADORA3ADORA2AADORA1
SCHEMBL5207314 0.82 JAK2 (0.60) KCNK3KCNK9KMT2AMEN1RAB9A
SCHEMBL15060321 0.79 NAMPT (0.59) KMT2APOLBMEN1RAB9AMAPT
SCHEMBL14182769 0.78 KCNQ2 (0.64) KCNK9KMT2AMEN1RAB9AMAPT
SCHEMBL5210856 0.78 KCNQ2 (0.55) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL14182736 0.77 MAOA (0.67) KMT2ARAB9AMAPTALDH1A1NPC1
SCHEMBL15764666 0.77 NPC1 (0.81) KCNK3KCNK9KMT2APOLBMEN1
SCHEMBL4469526 0.75 MAPK1 (0.62) KCNK3KCNK9KMT2APOLBMEN1
SCHEMBL2362772 0.74 KMT2A (0.82) KCNK3KCNK9KMT2APOLBMEN1

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
EP-1833829-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2007-09-19 EP disclosed
WO-2006066913-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed