SCHEMBL7816489

SCHEMBL7816489

Ic1ccc2c(-c3ccccc3)cncc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.47
PLK4 O00444 2/20 0.41
AURKA O14965 2/20 0.41
DAPK3 O43293 2/20 0.41
CHEK2 O96017 2/20 0.41
CDK1 P06493 2/20 0.41
PIM1 P11309 2/20 0.41
PRKACA P17612 2/20 0.41
CDK2 P24941 2/20 0.41
MAPK9 P45984 2/20 0.41
CSNK1D P48730 2/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
RPS6KA3 P51812 2/20 0.41
CSNK2A1 P68400 2/20 0.41
DYRK1A Q13627 2/20 0.41
AURKB Q96GD4 2/20 0.41
PLK3 Q9H4B4 2/20 0.41
SGK2 Q9HBY8 2/20 0.41
PIM2 Q9P1W9 2/20 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
SCHEMBL7816724 0.78 PRKCZ (0.43) PRKCZCDK1CDK2DYRK1ACYP2D6
SCHEMBL6243938 0.77 PRKCZ (0.72) PRKCZAURKBCYP11B1CYP11B2CYP2D6
SCHEMBL29501875 0.77 PRKCZ (0.72) PRKCZAURKBCYP11B1CYP11B2CYP2D6
SCHEMBL23890959 0.77 KDM4E (0.47) MAPK1TNFKDM4EMEN1ALDH1A1
SCHEMBL7803745 0.76 CYP11B1 (0.69) CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6
SCHEMBL20623158 0.75 ALDH1A1 (0.42) MAPK1KDM4EMEN1ALDH1A1MAPT
SCHEMBL12074301 0.74 PRKCZ (0.73) PRKCZAURKBCYP11B1CYP11B2CYP2D6
SCHEMBL30711433 0.74 TNF (0.55) PRKCZPLK4AURKADAPK3CHEK2
SCHEMBL28147703 0.74 TNF (0.55) PRKCZPLK4AURKADAPK3CHEK2
SCHEMBL18848567 0.74 NOS1 (0.39) PIM1HASPINMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788497-B1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC (CA) 2001-05-23 EP disclosed
EP-0788497-A1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1997-08-13 EP disclosed
US-5576338-A ANTIALLERGENS, ANTIHISTAMINES, ANTIINFLAMMATORY AGENTS AND CYTOPROTECTIVE AGENTS FOR CARDIOVASCULAR DISORDERS MERCK FROSST CANADA, INC. (CA) 1996-11-19 US disclosed
US-5552437-A ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY, AND CYTOPROTECTIVE AGENTS MERCK FROSST CANADA, INC. (CA) 1996-09-03 US disclosed
WO-1996013500-A1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1996-05-09 WO disclosed