SCHEMBL2301693

SCHEMBL2301693

O=C(O)CC(Cc1nc2ccc(-c3ccccc3)cc2[nH]1)c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 9/20 1.00
PIN1 Q13526 3/20 0.47
PRKAG1 P54619 2/20 0.46
PRKAA2 P54646 2/20 0.46
PRKAB1 Q9Y478 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 1/20 0.46
PTGFR P43088 2/20 0.43
CHEK2 O96017 1/20 0.43
GABBR2 O75899 2/20 0.42
GABBR1 Q9UBS5 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
NFKB1 P19838 1/20 0.42
DRD3 P35462 1/20 0.42
BLM P54132 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL2303682 0.95 PRKCZ (0.90) PRKCZPIN1PRKAG1PRKAA2PRKAB1
SCHEMBL2301688 0.92 PRKCZ (0.84) PRKCZPIN1PRKAG1PRKAA2PRKAB1
Hydrochloric Acid SCHEMBL655850 0.91 PRKCZ (0.83) PRKCZPIN1PRKAG1PRKAA2PRKAB1
SCHEMBL659484 0.89 PRKCZ (0.83) PRKCZPIN1KDM4ERAB9AGABBR2
SCHEMBL2303676 0.88 PRKCZ (0.79) PRKCZPIN1PRKAG1PRKAA2PRKAB1
SCHEMBL10252755 0.88 PRKCZ (0.78) PRKCZPIN1PRKAG1PRKAA2PRKAB1
SCHEMBL2304303 0.88 PRKCZ (0.78) PRKCZPIN1KDM4ERAB9ACYP3A4
Hydrochloric Acid SCHEMBL657365 0.87 PRKCZ (0.77) PRKCZPIN1PRKAG1PRKAA2PRKAB1
SCHEMBL2302990 0.87 PRKCZ (0.76) PRKCZPIN1KDM4ERAB9ACYP3A4
SCHEMBL655699 0.86 PRKCZ (0.76) PRKCZPIN1PRKAG1PRKAA2PRKAB1

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-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP claimed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO claimed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP disclosed