SCHEMBL5607323

SCHEMBL5607323

Oc1ccc(-c2ncc3cc[nH]c3n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.57
MAPK1 P28482 1/20 0.51
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
MAPT P10636 3/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DYRK1A Q13627 3/20 0.40
DYRK2 Q92630 3/20 0.40
DYRK1B Q9Y463 3/20 0.40
CLK1 P49759 2/20 0.40
ATM Q13315 1/20 0.39
ALOX5AP P20292 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
SCHEMBL28322681 0.83 ADORA3 (0.40) RIPK1MEN1KMT2ANPC1RAB9A
SCHEMBL17065188 0.83 MAPK1 (0.51) RIPK1MAPK1MEN1KMT2ANPC1
SCHEMBL30352947 0.82 CDK8 (0.54) MAPK1KMT2ANPC1RAB9AMAPT
SCHEMBL20508757 0.81 PIK3CD (0.56) RIPK1MAPK1NPC1ALOX5APFEN1
SCHEMBL845813 0.76 CDK8 (0.37) RIPK1MAPK1DYRK1BALOX5APFEN1
SCHEMBL844875 0.75 MAPK1 (0.53) RIPK1MAPK1ALOX5APFEN1AXL
SCHEMBL17065175 0.73 MAP3K11 (0.46) MAPK1MAPTDYRK1ADYRK2DYRK1B
SCHEMBL22978455 0.72 RIPK1 (1.00) RIPK1MAPK1DYRK1ADYRK2DYRK1B
SCHEMBL5103665 0.72 HRH3 (0.47) MAPK1
SCHEMBL20162798 0.72 FEN1 (0.41) RIPK1MAPK1DYRK1BALOX5APFEN1

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-1781298-A1 PHARMACEUTICAL COMBINATIONS CONTAINING BENZOXAZINE FOR TREATING RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2007-05-09 EP disclosed
WO-2005102349-A1 PHARMACEUTICAL COMBINATIONS CONTAINING BENZOXAZINE FOR TREATING RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed