SCHEMBL5553646

SCHEMBL5553646

O=C1NCCCc2cc(Br)[nH]c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.56
MAP2K1 Q02750 4/20 0.56
RAF1 P04049 3/20 0.56
CDK5 Q00535 3/20 0.46
CDK5R1 Q15078 3/20 0.46
PRKD1 Q15139 3/20 0.46
PRKD3 O94806 2/20 0.46
CCNB2 O95067 2/20 0.46
PRKCG P05129 2/20 0.46
PRKCB P05771 2/20 0.46
CDK1 P06493 2/20 0.46
CCNB1 P14635 2/20 0.46
PRKCA P17252 2/20 0.46
PRKCH P24723 2/20 0.46
PRKCI P41743 2/20 0.46
CSNK1A1 P48729 2/20 0.46
CSNK1D P48730 2/20 0.46
CSNK1E P49674 2/20 0.46
CSNK1G2 P78368 2/20 0.46
PRKCE Q02156 2/20 0.46

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
SCHEMBL7837428 0.71 MAP2K1 (1.00) MAPK1MAP2K1RAF1CDK5CDK5R1
SCHEMBL15243774 0.71 CDC7 (0.55) MAPK1MAP2K1RAF1CDK5CDK5R1
SCHEMBL7156772 0.68 MAP2K1 (0.52) MAPK1MAP2K1RAF1CDK5CDK5R1
SCHEMBL29712442 0.67 PARP10 (0.81) CDK2PARP10PARP11PARP1CDC7
SCHEMBL17797572 0.67 PARP10 (0.81) GSK3BPARP10PARP11PARP1
SCHEMBL23177730 0.67 CDK1 (0.39) MAPK1MAP2K1RAF1PRKD1CDK1
SCHEMBL19838786 0.67 PARP10 (0.81) CDK2PARP10PARP11PARP1CDC7
SCHEMBL27183613 0.66 PARP10 (0.39) MAPK1MAP2K1RAF1CDK4PARP10
SCHEMBL7373377 0.66 DRD4 (0.42) MAP2K1CDK5PRKD1PRKD3CSNK1A1
SCHEMBL5558439 0.66 CDK5 (0.41) MAPK1MAP2K1RAF1CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1430120-A4 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA ALCON INC (CH) 2007-06-20 EP claimed
EP-1430120-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA Alcon, Inc. (CH) 2004-06-23 EP claimed
WO-2003027275-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA ALCON, INC. (CH) 2003-04-03 WO claimed
CN-108865972-B Cell culture solution 布里格海姆妇女医院公司 2022-07-29 CN disclosed
EP-1430120-A4 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA ALCON INC (CH) 2007-06-20 EP disclosed
EP-1430120-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA Alcon, Inc. (CH) 2004-06-23 EP disclosed
WO-2003027275-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA ALCON, INC. (CH) 2003-04-03 WO disclosed